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4-Aminohippuric acid, 99%

CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

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Specifications

Benzamides

PubChem CID	2148
CAS	61-78-9
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:104011
MDL Number	MFCD00007890
SMILES	C1=CC(=CC=C1C(=O)NCC(=O)O)N
Synonym	4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine
IUPAC Name	2-[(4-aminobenzoyl)amino]acetic acid
InChI Key	HSMNQINEKMPTIC-UHFFFAOYSA-N

2-Amino-4-fluorobenzoic acid, 96%

CAS: 446-32-2 Molecular Formula: C₇H₆FNO₂ Molecular Weight (g/mol): 155.13 MDL Number: MFCD00075553 InChI Key: LGPVTNAJFDUWLF-UHFFFAOYSA-N Synonym: 4-fluoroanthranilic acid,2-amino-4-fluoro-benzoic acid,benzoic acid, 2-amino-4-fluoro,2-amino-4-fluoro benzoic acid,2-amino-4-fluorobenzoicacid,fa0,pubchem1323,amino-4-fluorobenzoic acid,acmc-209jz7,2-amino-4fluorobenzoic acid PubChem CID: 2724967 IUPAC Name: 2-amino-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)N)C(=O)O

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Specifications

Aminobenzoic acids and derivatives

PubChem CID	2724967
CAS	446-32-2
Molecular Weight (g/mol)	155.13
MDL Number	MFCD00075553
SMILES	C1=CC(=C(C=C1F)N)C(=O)O
Synonym	4-fluoroanthranilic acid,2-amino-4-fluoro-benzoic acid,benzoic acid, 2-amino-4-fluoro,2-amino-4-fluoro benzoic acid,2-amino-4-fluorobenzoicacid,fa0,pubchem1323,amino-4-fluorobenzoic acid,acmc-209jz7,2-amino-4fluorobenzoic acid
IUPAC Name	2-amino-4-fluorobenzoic acid
InChI Key	LGPVTNAJFDUWLF-UHFFFAOYSA-N
Molecular Formula	C₇H₆FNO₂

2-Chloro-4-(methylcarbamoyl)benzeneboronic acid, 97%

CAS: 1451391-89-1 Molecular Formula: C8H9BClNO3 Molecular Weight (g/mol): 213.424 MDL Number: MFCD22125174 InChI Key: LSMHGCJWZPHACP-UHFFFAOYSA-N Synonym: 2-chloro-4-methylcarbamoyl phenylboronic acid,2-chloro-4-methylcarbamoyl benzeneboronic acid,2-chloro-4-methylcarbamoyl phenyl boronic acid PubChem CID: 73996177 IUPAC Name: [2-chloro-4-(methylcarbamoyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)NC)Cl)(O)O

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Specifications

Hydroxybenzoic Acid Derivatives

PubChem CID	73996177
CAS	1451391-89-1
Molecular Weight (g/mol)	213.424
MDL Number	MFCD22125174
SMILES	B(C1=C(C=C(C=C1)C(=O)NC)Cl)(O)O
Synonym	2-chloro-4-methylcarbamoyl phenylboronic acid,2-chloro-4-methylcarbamoyl benzeneboronic acid,2-chloro-4-methylcarbamoyl phenyl boronic acid
IUPAC Name	[2-chloro-4-(methylcarbamoyl)phenyl]boronic acid
InChI Key	LSMHGCJWZPHACP-UHFFFAOYSA-N
Molecular Formula	C8H9BClNO3

(S)-(-)-1-(4-Bromophenyl)ethylamine, ChiPros, 99%, ee 98%

CAS: 27298-97-1 Molecular Formula: C8H11BrN Molecular Weight (g/mol): 201.09 MDL Number: MFCD00066026 InChI Key: SOZMSEPDYJGBEK-LURJTMIESA-O Synonym: s---1-4-bromophenyl ethylamine,s-1-4-bromophenyl ethanamine,s---4-bromo-alpha-phenylethylamine,s-1-4-bromophenyl ethylamine,1s-1-4-bromophenyl ethanamine,s-1-4-bromophenyl-ethylamine,1s-1-4-bromophenyl ethan-1-amine,s---1-4-bromo-phenyl-ethylamine,benzenemethanamine,4-bromo-a-methyl-, as,s-1-4-bromophenyl ethanamine-hcl PubChem CID: 852999 SMILES: C[C@H]([NH3+])C1=CC=C(Br)C=C1

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Specifications

Bromobenzenes

PubChem CID	852999
CAS	27298-97-1
Molecular Weight (g/mol)	201.09
MDL Number	MFCD00066026
SMILES	C[C@H]([NH3+])C1=CC=C(Br)C=C1
Synonym	s---1-4-bromophenyl ethylamine,s-1-4-bromophenyl ethanamine,s---4-bromo-alpha-phenylethylamine,s-1-4-bromophenyl ethylamine,1s-1-4-bromophenyl ethanamine,s-1-4-bromophenyl-ethylamine,1s-1-4-bromophenyl ethan-1-amine,s---1-4-bromo-phenyl-ethylamine,benzenemethanamine,4-bromo-a-methyl-, as,s-1-4-bromophenyl ethanamine-hcl
InChI Key	SOZMSEPDYJGBEK-LURJTMIESA-O
Molecular Formula	C8H11BrN

Indole-6-carbonitrile, 98+%

CAS: 15861-36-6 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.161 MDL Number: MFCD00016732 InChI Key: SZSZDBFJCQKTRG-UHFFFAOYSA-N Synonym: 6-cyanoindole,6-indolecarbonitrile,indole-6-carbonitrile,6-cyano-1h-indole,indole-6-cyano,6-cyano-indole,6-indole carbonitrile,pubchem7239,cyanoindole-6,1h-indol-6-yl cyanide PubChem CID: 85146 IUPAC Name: 1H-indole-6-carbonitrile SMILES: C1=CC(=CC2=C1C=CN2)C#N

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Specifications

Heteroaromatic compounds

PubChem CID	85146
CAS	15861-36-6
Molecular Weight (g/mol)	142.161
MDL Number	MFCD00016732
SMILES	C1=CC(=CC2=C1C=CN2)C#N
Synonym	6-cyanoindole,6-indolecarbonitrile,indole-6-carbonitrile,6-cyano-1h-indole,indole-6-cyano,6-cyano-indole,6-indole carbonitrile,pubchem7239,cyanoindole-6,1h-indol-6-yl cyanide
IUPAC Name	1H-indole-6-carbonitrile
InChI Key	SZSZDBFJCQKTRG-UHFFFAOYSA-N
Molecular Formula	C9H6N2

Thermo Scientific Chemicals 3-Bromo-5-fluorobenzaldehyde, 95%

CAS: 188813-02-7 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD04116319 InChI Key: MEFQRXHVMJPOKZ-UHFFFAOYSA-N Synonym: 3-fluoro-5-bromobenzaldehyde,benzaldehyde, 3-bromo-5-fluoro,5-bromo-3-fluorobenzaldehyde,3-bromo-5-fluoro-benzaldehyde,pubchem1420,acmc-209ers,ksc174q7p,3-bromo-5-fluorobenzaldehyde PubChem CID: 21986246 IUPAC Name: 3-bromo-5-fluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)Br)C=O

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Specifications

Benzoyl derivatives

PubChem CID	21986246
CAS	188813-02-7
Molecular Weight (g/mol)	203.01
MDL Number	MFCD04116319
SMILES	C1=C(C=C(C=C1F)Br)C=O
Synonym	3-fluoro-5-bromobenzaldehyde,benzaldehyde, 3-bromo-5-fluoro,5-bromo-3-fluorobenzaldehyde,3-bromo-5-fluoro-benzaldehyde,pubchem1420,acmc-209ers,ksc174q7p,3-bromo-5-fluorobenzaldehyde
IUPAC Name	3-bromo-5-fluorobenzaldehyde
InChI Key	MEFQRXHVMJPOKZ-UHFFFAOYSA-N
Molecular Formula	C7H4BrFO

2,4,6-Trimethoxybenzylamine hydrochloride, 98%

CAS: 146548-59-6 Molecular Formula: C₁₀H₁₅NO₃·ClH Molecular Weight (g/mol): 233.7 InChI Key: BLFRMOOGAICNSZ-UHFFFAOYSA-N Synonym: 2,4,6-trimethoxybenzylamine hydrochloride,2,4,6-trimethoxyphenyl methanamine hydrochloride,1-2,4,6-trimethoxyphenyl methanamine hydrochloride,pubchem7389,2, 4, 6-trimethoxybenzylamine hydrochloride,acmc-1c5nr,benzenemethanamine, 2,4,6-trimethoxy-, hydrochloride,1-2,4,6-trimethoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 16211914 IUPAC Name: (2,4,6-trimethoxyphenyl)methanamine;hydrochloride SMILES: COC1=CC(=C(C(=C1)OC)CN)OC.Cl

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Specifications

Phenylmethylamines

PubChem CID	16211914
CAS	146548-59-6
Molecular Weight (g/mol)	233.7
SMILES	COC1=CC(=C(C(=C1)OC)CN)OC.Cl
Synonym	2,4,6-trimethoxybenzylamine hydrochloride,2,4,6-trimethoxyphenyl methanamine hydrochloride,1-2,4,6-trimethoxyphenyl methanamine hydrochloride,pubchem7389,2, 4, 6-trimethoxybenzylamine hydrochloride,acmc-1c5nr,benzenemethanamine, 2,4,6-trimethoxy-, hydrochloride,1-2,4,6-trimethoxyphenyl methanamine-hydrogen chloride 1/1
IUPAC Name	(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
InChI Key	BLFRMOOGAICNSZ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₅NO₃·ClH

1,2-Dichloro-4-fluorobenzene, 98+%

CAS: 1435-49-0 Molecular Formula: C6H3Cl2F Molecular Weight (g/mol): 164.99 MDL Number: MFCD00018119 InChI Key: QSDKXMVGRLVIQV-UHFFFAOYSA-N Synonym: 3,4-dichlorofluorobenzene,3,4-dichloro-1-fluorobenzene,benzene, 1,2-dichloro-4-fluoro,pubchem3453,3,4 dichlorofluorobenzene,acmc-1byo2,ksc494g9b,1,2-dichloro-4-fluoro-benzene PubChem CID: 74028 IUPAC Name: 1,2-dichloro-4-fluorobenzene SMILES: FC1=CC=C(Cl)C(Cl)=C1

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Specifications

Fluorobenzenes

PubChem CID	74028
CAS	1435-49-0
Molecular Weight (g/mol)	164.99
MDL Number	MFCD00018119
SMILES	FC1=CC=C(Cl)C(Cl)=C1
Synonym	3,4-dichlorofluorobenzene,3,4-dichloro-1-fluorobenzene,benzene, 1,2-dichloro-4-fluoro,pubchem3453,3,4 dichlorofluorobenzene,acmc-1byo2,ksc494g9b,1,2-dichloro-4-fluoro-benzene
IUPAC Name	1,2-dichloro-4-fluorobenzene
InChI Key	QSDKXMVGRLVIQV-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2F

4-Amino-3-fluorobenzonitrile, 99%

CAS: 63069-50-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD00055559 InChI Key: RLMBRRQWBTWGMB-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile PubChem CID: 2756431 IUPAC Name: 4-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)F)N

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Specifications

Fluorobenzenes

PubChem CID	2756431
CAS	63069-50-1
Molecular Weight (g/mol)	136.129
MDL Number	MFCD00055559
SMILES	C1=CC(=C(C=C1C#N)F)N
Synonym	3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile
IUPAC Name	4-amino-3-fluorobenzonitrile
InChI Key	RLMBRRQWBTWGMB-UHFFFAOYSA-N
Molecular Formula	C7H5FN2

4-Aminobenzamide, 98%

CAS: 2835-68-9 Molecular Formula: C₇H₈N₂O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007999 InChI Key: QIKYZXDTTPVVAC-UHFFFAOYSA-N Synonym: p-aminobenzamide,benzamide, 4-amino,4-amino-benzamide,p-carbamoylaniline,p-aminobenzoic acid amide,benzamide, p-amino,4-amino benzamide,unii-77722i6pac,ccris 6792,aminobenzamide-4 PubChem CID: 76079 IUPAC Name: 4-aminobenzamide SMILES: C1=CC(=CC=C1C(=O)N)N

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Specifications

Aminobenzoic acids and derivatives

PubChem CID	76079
CAS	2835-68-9
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00007999
SMILES	C1=CC(=CC=C1C(=O)N)N
Synonym	p-aminobenzamide,benzamide, 4-amino,4-amino-benzamide,p-carbamoylaniline,p-aminobenzoic acid amide,benzamide, p-amino,4-amino benzamide,unii-77722i6pac,ccris 6792,aminobenzamide-4
IUPAC Name	4-aminobenzamide
InChI Key	QIKYZXDTTPVVAC-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O

2,6-Dichlorobenzoic Acid, 98+%

CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl

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Specifications

Benzoic acids

PubChem CID	5758
CAS	50-30-6
Molecular Weight (g/mol)	191.01
ChEBI	CHEBI:48623
MDL Number	MFCD00002418
SMILES	OC(=O)C1=C(Cl)C=CC=C1Cl
Synonym	benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid
IUPAC Name	2,6-dichlorobenzoic acid
InChI Key	MRUDNSFOFOQZDA-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O2

2,6-Dimethoxybenzoic acid, 99%

CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O

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Specifications

Phenoxy compounds

PubChem CID	15109
CAS	1466-76-8
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00002437
SMILES	COC1=CC=CC(OC)=C1C(O)=O
Synonym	benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043
IUPAC Name	2,6-dimethoxybenzoic acid
InChI Key	MBIZFBDREVRUHY-UHFFFAOYSA-N
Molecular Formula	C9H10O4

Triphenylmethyl bromide, 98%

CAS: 596-43-0 Molecular Formula: C₁₉H₁₅Br Molecular Weight (g/mol): 323.22 MDL Number: MFCD00000120 InChI Key: NZHXEWZGTQSYJM-UHFFFAOYSA-N Synonym: bromotriphenylmethane,triphenylmethyl bromide,trityl bromide,triphenylbromomethane,bromodiphenylmethyl benzene,methane, bromotriphenyl,benzene, 1,1',1-bromomethylidyne tris,triphenylmethylbromide,bromomethanetriyl tribenzene,2-bromo-1,1,1-triphenylethane PubChem CID: 11692 IUPAC Name: [bromo(diphenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Br

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Specifications

Triphenyl compounds

PubChem CID	11692
CAS	596-43-0
Molecular Weight (g/mol)	323.22
MDL Number	MFCD00000120
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Br
Synonym	bromotriphenylmethane,triphenylmethyl bromide,trityl bromide,triphenylbromomethane,bromodiphenylmethyl benzene,methane, bromotriphenyl,benzene, 1,1',1-bromomethylidyne tris,triphenylmethylbromide,bromomethanetriyl tribenzene,2-bromo-1,1,1-triphenylethane
IUPAC Name	[bromo(diphenyl)methyl]benzene
InChI Key	NZHXEWZGTQSYJM-UHFFFAOYSA-N
Molecular Formula	C₁₉H₁₅Br

4-Fluorobenzamide, 98%

CAS: 824-75-9 Molecular Formula: C7H6FNO Molecular Weight (g/mol): 139.129 MDL Number: MFCD00007992 InChI Key: VNDHYTGVCGVETQ-UHFFFAOYSA-N Synonym: p-fluorobenzamide,benzamide, 4-fluoro,benzamide, p-fluoro,p-fluorobenzoic acid amide,4-fluoro-benzamide,unii-yb79f3xb1g,yb79f3xb1g,4fluorobenzamide,4-fluorobenzoamide,pubchem3407 PubChem CID: 71572 IUPAC Name: 4-fluorobenzamide SMILES: C1=CC(=CC=C1C(=O)N)F

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Specifications

Hydroxybenzoic Acid Derivatives

PubChem CID	71572
CAS	824-75-9
Molecular Weight (g/mol)	139.129
MDL Number	MFCD00007992
SMILES	C1=CC(=CC=C1C(=O)N)F
Synonym	p-fluorobenzamide,benzamide, 4-fluoro,benzamide, p-fluoro,p-fluorobenzoic acid amide,4-fluoro-benzamide,unii-yb79f3xb1g,yb79f3xb1g,4fluorobenzamide,4-fluorobenzoamide,pubchem3407
IUPAC Name	4-fluorobenzamide
InChI Key	VNDHYTGVCGVETQ-UHFFFAOYSA-N
Molecular Formula	C7H6FNO

2,6-Difluorophenyl isothiocyanate, 97%

CAS: 207974-17-2 Molecular Formula: C7H3F2NS Molecular Weight (g/mol): 171.165 MDL Number: MFCD00041047 InChI Key: DBSXNGIBAKYMSS-UHFFFAOYSA-N PubChem CID: 4031601 IUPAC Name: 1,3-difluoro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C(=C1)F)N=C=S)F

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Specifications

Fluorobenzenes

PubChem CID	4031601
CAS	207974-17-2
Molecular Weight (g/mol)	171.165
MDL Number	MFCD00041047
SMILES	C1=CC(=C(C(=C1)F)N=C=S)F
IUPAC Name	1,3-difluoro-2-isothiocyanatobenzene
InChI Key	DBSXNGIBAKYMSS-UHFFFAOYSA-N
Molecular Formula	C7H3F2NS

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