Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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2,296 – 2,310 of 119,722 results

2,296

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4-Bromo-3-methoxyaniline, 97%

CAS: 19056-40-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD05664063 InChI Key: RUTNWXBHRAIQSP-UHFFFAOYSA-N Synonym: 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 PubChem CID: 7018254 IUPAC Name: 4-bromo-3-methoxyaniline SMILES: COC1=C(Br)C=CC(N)=C1

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Specifications

PubChem CID	7018254
CAS	19056-40-7
Molecular Weight (g/mol)	202.05
MDL Number	MFCD05664063
SMILES	COC1=C(Br)C=CC(N)=C1
Synonym	5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794
IUPAC Name	4-bromo-3-methoxyaniline
InChI Key	RUTNWXBHRAIQSP-UHFFFAOYSA-N
Molecular Formula	C7H8BrNO

2,297

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3,5-Dimethylbenzyl alcohol, 99%

CAS: 27129-87-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004648 InChI Key: IQWWTJDRVBWBEL-UHFFFAOYSA-N PubChem CID: 33706 IUPAC Name: (3,5-dimethylphenyl)methanol SMILES: CC1=CC(=CC(=C1)CO)C

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Specifications

PubChem CID	33706
CAS	27129-87-9
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00004648
SMILES	CC1=CC(=CC(=C1)CO)C
IUPAC Name	(3,5-dimethylphenyl)methanol
InChI Key	IQWWTJDRVBWBEL-UHFFFAOYSA-N
Molecular Formula	C9H12O

2,298

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4-Aminophthalic acid, 98%

CAS: 5434-21-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00013985 InChI Key: OXSANYRLJHSQEP-UHFFFAOYSA-N Synonym: 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 PubChem CID: 72912 IUPAC Name: 4-aminophthalic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)C(=O)O

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Specifications

PubChem CID	72912
CAS	5434-21-9
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00013985
SMILES	C1=CC(=C(C=C1N)C(=O)O)C(=O)O
Synonym	4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208
IUPAC Name	4-aminophthalic acid
InChI Key	OXSANYRLJHSQEP-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

2,299

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3,5-Bis(trifluoromethyl)benzylamine, 95%

CAS: 85068-29-7 Molecular Formula: C₉H₇F₆N Molecular Weight (g/mol): 243.15 MDL Number: MFCD00009909 InChI Key: DHVHORCFFOSRBP-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine PubChem CID: 521099 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

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Specifications

PubChem CID	521099
CAS	85068-29-7
Molecular Weight (g/mol)	243.15
MDL Number	MFCD00009909
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN
Synonym	3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]methanamine
InChI Key	DHVHORCFFOSRBP-UHFFFAOYSA-N
Molecular Formula	C₉H₇F₆N

2,300

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4-(Trifluoromethoxy)benzyl bromide, 98%, Thermo Scientific™

CAS: 50824-05-0 Molecular Formula: C₈H₆BrF₃O Molecular Weight (g/mol): 255.03 MDL Number: MFCD00061238 InChI Key: JDNPUJCKXLOHOW-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene PubChem CID: 142785 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1CBr)OC(F)(F)F

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Specifications

PubChem CID	142785
CAS	50824-05-0
Molecular Weight (g/mol)	255.03
MDL Number	MFCD00061238
SMILES	C1=CC(=CC=C1CBr)OC(F)(F)F
Synonym	4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene
IUPAC Name	1-(bromomethyl)-4-(trifluoromethoxy)benzene
InChI Key	JDNPUJCKXLOHOW-UHFFFAOYSA-N
Molecular Formula	C₈H₆BrF₃O

2,301

meso-1,2-Bis(4-bromophenyl)ethanediamine, 98+%, Thermo Scientific™

CAS: 117903-53-4 Molecular Formula: C₁₄H₁₄Br₂N₂ Molecular Weight (g/mol): 370.09 MDL Number: MFCD00989104 InChI Key: GANMXFWDVICUEK-UHFFFAOYSA-N Synonym: 1,2-bis 4-bromophenyl ethane-1,1-diamine,meso-1,2-bis 4-bromophenyl ethanediamine PubChem CID: 91872995 IUPAC Name: 1,2-bis(4-bromophenyl)ethane-1,1-diamine SMILES: C1=CC(=CC=C1CC(C2=CC=C(C=C2)Br)(N)N)Br

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Specifications

PubChem CID	91872995
CAS	117903-53-4
Molecular Weight (g/mol)	370.09
MDL Number	MFCD00989104
SMILES	C1=CC(=CC=C1CC(C2=CC=C(C=C2)Br)(N)N)Br
Synonym	1,2-bis 4-bromophenyl ethane-1,1-diamine,meso-1,2-bis 4-bromophenyl ethanediamine
IUPAC Name	1,2-bis(4-bromophenyl)ethane-1,1-diamine
InChI Key	GANMXFWDVICUEK-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₄Br₂N₂

2,302

N-Methyl-N-[3-(1H-1,2,4-triazol-1-yl)benzyl]amine 97+%, Thermo Scientific™

CAS: 879896-43-2 Molecular Formula: C10H12N4 Molecular Weight (g/mol): 188.234 MDL Number: MFCD08435864 InChI Key: LLGQTEDUTKNYIP-UHFFFAOYSA-N Synonym: n-methyl-n-3-1h-1,2,4-triazol-1-yl benzyl amine,methyl 3-1,2,4-triazol-1-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-1,2,4-triazol-1-yl,methyl 3-1,2,4-triazolyl phenyl methyl amine,n-methyl-n-3-1h-1,2,4-trazol-1-yl benzyl amne,methyl 3-1h-1,2,4-triazol-1-yl phenyl methyl amine,1-3-1h-1,2,4-triazol-1-yl phenyl-n-methylmethanamine,n-methyl-1-3-1h-1,2,4-triazol-1-yl phenyl methanamine PubChem CID: 18525742 IUPAC Name: N-methyl-1-[3-(1,2,4-triazol-1-yl)phenyl]methanamine SMILES: CNCC1=CC(=CC=C1)N2C=NC=N2

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Specifications

PubChem CID	18525742
CAS	879896-43-2
Molecular Weight (g/mol)	188.234
MDL Number	MFCD08435864
SMILES	CNCC1=CC(=CC=C1)N2C=NC=N2
Synonym	n-methyl-n-3-1h-1,2,4-triazol-1-yl benzyl amine,methyl 3-1,2,4-triazol-1-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-1,2,4-triazol-1-yl,methyl 3-1,2,4-triazolyl phenyl methyl amine,n-methyl-n-3-1h-1,2,4-trazol-1-yl benzyl amne,methyl 3-1h-1,2,4-triazol-1-yl phenyl methyl amine,1-3-1h-1,2,4-triazol-1-yl phenyl-n-methylmethanamine,n-methyl-1-3-1h-1,2,4-triazol-1-yl phenyl methanamine
IUPAC Name	N-methyl-1-[3-(1,2,4-triazol-1-yl)phenyl]methanamine
InChI Key	LLGQTEDUTKNYIP-UHFFFAOYSA-N
Molecular Formula	C10H12N4

2,303

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3-Biphenylcarboxylic acid, 97%

CAS: 716-76-7 Molecular Formula: C₁₃H₁₀O₂ Molecular Weight (g/mol): 198.22 MDL Number: MFCD00045846 InChI Key: XNLWJFYYOIRPIO-UHFFFAOYSA-N Synonym: biphenyl-3-carboxylic acid,3-biphenylcarboxylic acid,1,1'-biphenyl-3-carboxylic acid,diphenyl-3-carboxylic acid,wln: qvr cr,3-biphenylcarboxylicacid,m-phenylbenzoic acid,3-phenyl benzoic acid PubChem CID: 12854 IUPAC Name: 3-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O

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Specifications

PubChem CID	12854
CAS	716-76-7
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00045846
SMILES	C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
Synonym	biphenyl-3-carboxylic acid,3-biphenylcarboxylic acid,1,1'-biphenyl-3-carboxylic acid,diphenyl-3-carboxylic acid,wln: qvr cr,3-biphenylcarboxylicacid,m-phenylbenzoic acid,3-phenyl benzoic acid
IUPAC Name	3-phenylbenzoic acid
InChI Key	XNLWJFYYOIRPIO-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O₂

2,304

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1-(2-Bromoethoxy)-3-nitrobenzene, 97%, Thermo Scientific™

CAS: 13831-59-9 Molecular Formula: C8H8BrNO3 Molecular Weight (g/mol): 246.06 MDL Number: MFCD07783648 InChI Key: QBUSKXLDUNPEMZ-UHFFFAOYSA-N Synonym: 1-2-bromoethoxy-3-nitrobenzene,benzene,1-2-bromoethoxy-3-nitro,2-bromoethyl 3-nitrophenyl ether,acmc-209chl,2-bromo-3'-nitrophenetole,2-3-nitrophenoxy ethyl bromide,3-2-bromoethoxy-1-nitrobenzene PubChem CID: 269626 IUPAC Name: 1-(2-bromoethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OCCBr)=C1

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Specifications

PubChem CID	269626
CAS	13831-59-9
Molecular Weight (g/mol)	246.06
MDL Number	MFCD07783648
SMILES	[O-][N+](=O)C1=CC=CC(OCCBr)=C1
Synonym	1-2-bromoethoxy-3-nitrobenzene,benzene,1-2-bromoethoxy-3-nitro,2-bromoethyl 3-nitrophenyl ether,acmc-209chl,2-bromo-3'-nitrophenetole,2-3-nitrophenoxy ethyl bromide,3-2-bromoethoxy-1-nitrobenzene
IUPAC Name	1-(2-bromoethoxy)-3-nitrobenzene
InChI Key	QBUSKXLDUNPEMZ-UHFFFAOYSA-N
Molecular Formula	C8H8BrNO3

2,305

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2-Iodo-5-methoxybenzaldehyde, 96%

CAS: 77287-58-2 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD18905098 InChI Key: YHRFMOFYYPMQBE-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo-5-methoxy,5-methoxy-2-iodobenzaldehyde,2-iodo-5-methoxybenzaldehyde PubChem CID: 10858258 IUPAC Name: 2-iodo-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)I)C=O

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Specifications

PubChem CID	10858258
CAS	77287-58-2
Molecular Weight (g/mol)	262.046
MDL Number	MFCD18905098
SMILES	COC1=CC(=C(C=C1)I)C=O
Synonym	benzaldehyde, 2-iodo-5-methoxy,5-methoxy-2-iodobenzaldehyde,2-iodo-5-methoxybenzaldehyde
IUPAC Name	2-iodo-5-methoxybenzaldehyde
InChI Key	YHRFMOFYYPMQBE-UHFFFAOYSA-N
Molecular Formula	C8H7IO2

2,306

3,3',5,5'-Tetramethylbenzidine soln., Ready-to-Use, precipitating, standard sensitivity, Thermo Scientific Chemicals

CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00007748 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C

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Specifications

PubChem CID	41206
CAS	54827-17-7
Molecular Weight (g/mol)	240.35
MDL Number	MFCD00007748
SMILES	CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
Synonym	3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble
IUPAC Name	4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline
InChI Key	UAIUNKRWKOVEES-UHFFFAOYSA-N
Molecular Formula	C16H20N2

2,307

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4-Chloro-3-methylaniline, 98+%

CAS: 7149-75-9 Molecular Formula: C₇H₈ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00066332 InChI Key: HIHCTGNZNHSZPP-UHFFFAOYSA-N Synonym: 5-amino-2-chlorotoluene,benzenamine, 4-chloro-3-methyl,m-toluidine, 4-chloro,3-methyl-4-chloroaniline,4-chloro-m-toluidine,unii-6q2w6l7bwz,6q2w6l7bwz,4-chloro-3-methylphenylamine,4-chloro-3-methyl-phenylamine,4-chloro-3-methylphenyl amine PubChem CID: 23536 IUPAC Name: 4-chloro-3-methylaniline SMILES: CC1=C(C=CC(=C1)N)Cl

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Specifications

PubChem CID	23536
CAS	7149-75-9
Molecular Weight (g/mol)	141.6
MDL Number	MFCD00066332
SMILES	CC1=C(C=CC(=C1)N)Cl
Synonym	5-amino-2-chlorotoluene,benzenamine, 4-chloro-3-methyl,m-toluidine, 4-chloro,3-methyl-4-chloroaniline,4-chloro-m-toluidine,unii-6q2w6l7bwz,6q2w6l7bwz,4-chloro-3-methylphenylamine,4-chloro-3-methyl-phenylamine,4-chloro-3-methylphenyl amine
IUPAC Name	4-chloro-3-methylaniline
InChI Key	HIHCTGNZNHSZPP-UHFFFAOYSA-N
Molecular Formula	C₇H₈ClN

2,308

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2,4-Dimethoxybenzylamine, 98%

CAS: 20781-20-8 Molecular Formula: C₉H₁₃NO₂ Molecular Weight (g/mol): 167.21 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC

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Specifications

PubChem CID	597250
CAS	20781-20-8
Molecular Weight (g/mol)	167.21
MDL Number	MFCD00052393
SMILES	COC1=CC(=C(C=C1)CN)OC
Synonym	2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine
IUPAC Name	(2,4-dimethoxyphenyl)methanamine
InChI Key	QOWBXWFYRXSBAS-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO₂

2,309

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3-(chloromethyl)benzoyl chloride, 98%

CAS: 63024-77-1 Molecular Formula: C₈H₆Cl₂O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000682 InChI Key: YCAIYRWHKSJKEB-UHFFFAOYSA-N Synonym: 3-chloromethyl benzoyl chloride,3-chloromethyl benzoylchloride,3-chloromethyl-benzoyl chloride,benzoyl chloride, 3-chloromethyl,pubchem16448,3-chlormethylbenzoylchloride,3-chloromethylbenzoylchloride,acmc-1b65n PubChem CID: 2733324 IUPAC Name: 3-(chloromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)CCl)C(=O)Cl

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Specifications

PubChem CID	2733324
CAS	63024-77-1
Molecular Weight (g/mol)	189.04
MDL Number	MFCD00000682
SMILES	C1=CC(=CC(=C1)CCl)C(=O)Cl
Synonym	3-chloromethyl benzoyl chloride,3-chloromethyl benzoylchloride,3-chloromethyl-benzoyl chloride,benzoyl chloride, 3-chloromethyl,pubchem16448,3-chlormethylbenzoylchloride,3-chloromethylbenzoylchloride,acmc-1b65n
IUPAC Name	3-(chloromethyl)benzoyl chloride
InChI Key	YCAIYRWHKSJKEB-UHFFFAOYSA-N
Molecular Formula	C₈H₆Cl₂O

2,310

2,4,6-Trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide, Thermo Scientific Chemicals

CAS: 313981-55-4 Molecular Formula: C16H16F3NO2S Molecular Weight (g/mol): 343.36 MDL Number: MFCD00784362 InChI Key: SKJJIFRWCCSXGL-UHFFFAOYSA-N Synonym: o-3m3fbs,2,4,6-trimethyl-n-2-trifluoromethyl phenyl benzenesulfonamide,tocris-1942,benzenesulfonamide,2,4,6-trimethyl-n-2-trifluoromethyl phenyl PubChem CID: 770820 IUPAC Name: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide SMILES: CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NC1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	770820
CAS	313981-55-4
Molecular Weight (g/mol)	343.36
MDL Number	MFCD00784362
SMILES	CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NC1=CC=CC=C1C(F)(F)F
Synonym	o-3m3fbs,2,4,6-trimethyl-n-2-trifluoromethyl phenyl benzenesulfonamide,tocris-1942,benzenesulfonamide,2,4,6-trimethyl-n-2-trifluoromethyl phenyl
IUPAC Name	2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
InChI Key	SKJJIFRWCCSXGL-UHFFFAOYSA-N
Molecular Formula	C16H16F3NO2S

Benzene and substituted derivatives

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