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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3,511 – 3,525 of 119,768 results

3,511

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4-Bromo-2-fluoro-5-(trifluoromethyl)aniline, 97%

CAS: 104460-70-0 Molecular Formula: C7H4BrF4N Molecular Weight (g/mol): 258.01 MDL Number: MFCD04973757 InChI Key: UYVDMCXPDGRLEC-UHFFFAOYSA-N Synonym: 4-bromo-2-fluoro-5-trifluoromethyl aniline,benzenamine, 4-bromo-2-fluoro-5-trifluoromethyl,benzenamine,4-bromo-2-fluoro-5-trifluoromethyl,acmc-209ygd,4-bromo-2-fluoro-5-trifluoromethyl phenylamine,4-bromanyl-2-fluoranyl-5-trifluoromethyl aniline PubChem CID: 7018046 IUPAC Name: 4-bromo-2-fluoro-5-(trifluoromethyl)aniline SMILES: NC1=C(F)C=C(Br)C(=C1)C(F)(F)F

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Specifications

PubChem CID	7018046
CAS	104460-70-0
Molecular Weight (g/mol)	258.01
MDL Number	MFCD04973757
SMILES	NC1=C(F)C=C(Br)C(=C1)C(F)(F)F
Synonym	4-bromo-2-fluoro-5-trifluoromethyl aniline,benzenamine, 4-bromo-2-fluoro-5-trifluoromethyl,benzenamine,4-bromo-2-fluoro-5-trifluoromethyl,acmc-209ygd,4-bromo-2-fluoro-5-trifluoromethyl phenylamine,4-bromanyl-2-fluoranyl-5-trifluoromethyl aniline
IUPAC Name	4-bromo-2-fluoro-5-(trifluoromethyl)aniline
InChI Key	UYVDMCXPDGRLEC-UHFFFAOYSA-N
Molecular Formula	C7H4BrF4N

3,512

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3-Fluoro-4-methoxybenzyl chloride, 98%

CAS: 351-52-0 Molecular Formula: C8H8ClFO Molecular Weight (g/mol): 174.60 MDL Number: MFCD04973773 InChI Key: DDAXEANMRGIVDY-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride PubChem CID: 2060903 IUPAC Name: 4-(chloromethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CCl)C=C1F

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Specifications

PubChem CID	2060903
CAS	351-52-0
Molecular Weight (g/mol)	174.60
MDL Number	MFCD04973773
SMILES	COC1=CC=C(CCl)C=C1F
Synonym	3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride
IUPAC Name	4-(chloromethyl)-2-fluoro-1-methoxybenzene
InChI Key	DDAXEANMRGIVDY-UHFFFAOYSA-N
Molecular Formula	C8H8ClFO

3,513

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6-Bromo-2,3-difluorobenzaldehyde, 98%

CAS: 360576-04-1 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD07368119 InChI Key: LAVPYRPTHABUAD-UHFFFAOYSA-N Synonym: benzaldehyde, 6-bromo-2,3-difluoro,6-bromo-2,3-difluoro-benzaldehyde,2-bromo-5,6-difluorobenzaldehyde,benzaldehyde,6-bromo-2,3-difluoro PubChem CID: 9877851 IUPAC Name: 6-bromo-2,3-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1F)F)C=O)Br

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Specifications

PubChem CID	9877851
CAS	360576-04-1
Molecular Weight (g/mol)	221.001
MDL Number	MFCD07368119
SMILES	C1=CC(=C(C(=C1F)F)C=O)Br
Synonym	benzaldehyde, 6-bromo-2,3-difluoro,6-bromo-2,3-difluoro-benzaldehyde,2-bromo-5,6-difluorobenzaldehyde,benzaldehyde,6-bromo-2,3-difluoro
IUPAC Name	6-bromo-2,3-difluorobenzaldehyde
InChI Key	LAVPYRPTHABUAD-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O

3,514

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5-Chloro-2-methoxybenzaldehyde, 97%

CAS: 7035-09-8 MDL Number: MFCD00033854

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Specifications

CAS	7035-09-8
MDL Number	MFCD00033854

3,515

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4-Methyl-2-(trifluoromethyl)benzonitrile, 98%

CAS: 261952-05-0 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 MDL Number: MFCD01631596 InChI Key: WCZWEODOIUKVHX-UHFFFAOYSA-N Synonym: 4-methyl-2-trifluoromethyl benzonitrile,4-methyl-2-trifluoromethyl benzenecarbonitrile,2-cyano-5-methylbenzotrifluoride,2-trifluoromethyl-p-tolunitrile,4-cyano-3-trifluoromethyl toluene,benzonitrile,4-methyl-2-trifluoromethyl PubChem CID: 2775597 IUPAC Name: 4-methyl-2-(trifluoromethyl)benzonitrile SMILES: CC1=CC(=C(C=C1)C#N)C(F)(F)F

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Specifications

PubChem CID	2775597
CAS	261952-05-0
Molecular Weight (g/mol)	185.15
MDL Number	MFCD01631596
SMILES	CC1=CC(=C(C=C1)C#N)C(F)(F)F
Synonym	4-methyl-2-trifluoromethyl benzonitrile,4-methyl-2-trifluoromethyl benzenecarbonitrile,2-cyano-5-methylbenzotrifluoride,2-trifluoromethyl-p-tolunitrile,4-cyano-3-trifluoromethyl toluene,benzonitrile,4-methyl-2-trifluoromethyl
IUPAC Name	4-methyl-2-(trifluoromethyl)benzonitrile
InChI Key	WCZWEODOIUKVHX-UHFFFAOYSA-N
Molecular Formula	C9H6F3N

3,516

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4-Fluorothiobenzamide, 97%

CAS: 22179-72-2 Molecular Formula: C7H6FNS Molecular Weight (g/mol): 155.19 MDL Number: MFCD01313285 InChI Key: VQFOHZWOKJQOGO-UHFFFAOYSA-N Synonym: 4-fluorothiobenzamide,4-fluorobenzothioamide,4-fluorobenzene-1-carbothioamide,4-fluoro-1-benzenecarbothioamide,4-fluoro-thiobenzamide,benzenecarbothioamide, 4-fluoro,amino 4-fluorophenyl methane-1-thione,p-fluorothiobenzamide,acmc-20amhq,4-fluoro thiobenzamide PubChem CID: 737223 IUPAC Name: 4-fluorobenzenecarbothioamide SMILES: NC(=S)C1=CC=C(F)C=C1

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Specifications

PubChem CID	737223
CAS	22179-72-2
Molecular Weight (g/mol)	155.19
MDL Number	MFCD01313285
SMILES	NC(=S)C1=CC=C(F)C=C1
Synonym	4-fluorothiobenzamide,4-fluorobenzothioamide,4-fluorobenzene-1-carbothioamide,4-fluoro-1-benzenecarbothioamide,4-fluoro-thiobenzamide,benzenecarbothioamide, 4-fluoro,amino 4-fluorophenyl methane-1-thione,p-fluorothiobenzamide,acmc-20amhq,4-fluoro thiobenzamide
IUPAC Name	4-fluorobenzenecarbothioamide
InChI Key	VQFOHZWOKJQOGO-UHFFFAOYSA-N
Molecular Formula	C7H6FNS

3,517

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3-Chloro-5-fluorobenzyl alcohol, 98+%

CAS: 79944-64-2 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.57 MDL Number: MFCD03788554 InChI Key: VJTJBAMDTCIMOB-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzyl alcohol,3-chloro-5-fluorophenyl methanol,3-chloro-5-fluoro-phenyl methanol,rarechem al bd 1247,benzenemethanol,3-chloro-5-fluoro,3-chloro-5-fluoro phenyl methanol,3-chloro-5-fluoro-phenyl-methanol,3-chloro-5-fluorophenyl methan-1-ol PubChem CID: 2734835 IUPAC Name: (3-chloro-5-fluorophenyl)methanol SMILES: OCC1=CC(F)=CC(Cl)=C1

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Specifications

PubChem CID	2734835
CAS	79944-64-2
Molecular Weight (g/mol)	160.57
MDL Number	MFCD03788554
SMILES	OCC1=CC(F)=CC(Cl)=C1
Synonym	3-chloro-5-fluorobenzyl alcohol,3-chloro-5-fluorophenyl methanol,3-chloro-5-fluoro-phenyl methanol,rarechem al bd 1247,benzenemethanol,3-chloro-5-fluoro,3-chloro-5-fluoro phenyl methanol,3-chloro-5-fluoro-phenyl-methanol,3-chloro-5-fluorophenyl methan-1-ol
IUPAC Name	(3-chloro-5-fluorophenyl)methanol
InChI Key	VJTJBAMDTCIMOB-UHFFFAOYSA-N
Molecular Formula	C7H6ClFO

3,518

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2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

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Specifications

PubChem CID	33712
CAS	1074-92-6
Molecular Weight (g/mol)	148.249
MDL Number	MFCD00059209
SMILES	CC1=CC=CC=C1C(C)(C)C
IUPAC Name	1-tert-butyl-2-methylbenzene
InChI Key	AXHVNJGQOJFMHT-UHFFFAOYSA-N
Molecular Formula	C11H16

3,519

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[(N-Benzyl-N-methylammonium)methyl]trifluoroborate internal salt, 95 %, Thermo Scientific Chemicals

CAS: 1268341-00-9 Molecular Formula: C9H13BF3N Molecular Weight (g/mol): 203.015 MDL Number: MFCD20134169 InChI Key: JRTRNQRZOUGDCI-UHFFFAOYSA-O Synonym: n-benzyl-n-methylammonium methyl trifluoroborate internal salt,benzyl methyl ammonio methyl trifluoroboranuide PubChem CID: 53243645 IUPAC Name: [benzyl(methyl)azaniumyl]methyl-trifluoroboranuide SMILES: [B-](C[NH+](C)CC1=CC=CC=C1)(F)(F)F

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Specifications

PubChem CID	53243645
CAS	1268341-00-9
Molecular Weight (g/mol)	203.015
MDL Number	MFCD20134169
SMILES	[B-](C[NH+](C)CC1=CC=CC=C1)(F)(F)F
Synonym	n-benzyl-n-methylammonium methyl trifluoroborate internal salt,benzyl methyl ammonio methyl trifluoroboranuide
IUPAC Name	[benzyl(methyl)azaniumyl]methyl-trifluoroboranuide
InChI Key	JRTRNQRZOUGDCI-UHFFFAOYSA-O
Molecular Formula	C9H13BF3N

3,520

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Methyl 3-bromo-2-fluorobenzoate, 98%, Thermo Scientific Chemicals

CAS: 206551-41-9 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD09261255 InChI Key: ZWOFHFOFKBYRHV-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-2-fluoro-, methyl ester,pubchem21940,acmc-209fct,methyl bromofluorobenzoate,methyl3-bromo-2-fluorobenzoate,3-bromo-2-fluoro-benzoic acid methyl ester PubChem CID: 21584505 IUPAC Name: methyl 3-bromo-2-fluorobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)Br)F

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Specifications

PubChem CID	21584505
CAS	206551-41-9
Molecular Weight (g/mol)	233.036
MDL Number	MFCD09261255
SMILES	COC(=O)C1=C(C(=CC=C1)Br)F
Synonym	3-bromo-2-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-2-fluoro-, methyl ester,pubchem21940,acmc-209fct,methyl bromofluorobenzoate,methyl3-bromo-2-fluorobenzoate,3-bromo-2-fluoro-benzoic acid methyl ester
IUPAC Name	methyl 3-bromo-2-fluorobenzoate
InChI Key	ZWOFHFOFKBYRHV-UHFFFAOYSA-N
Molecular Formula	C8H6BrFO2

3,521

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4-Bromo-2,3,5,6-tetrafluorobenzoic acid, 97+%

CAS: 4707-24-8 Molecular Formula: C7HBrF4O2 Molecular Weight (g/mol): 272.981 MDL Number: MFCD00075244 InChI Key: MTZLICDXLGQWJV-UHFFFAOYSA-N Synonym: 4-bromo-2,3,5,6-tetrafluoro-benzoic acid,acmc-1arsf,4-bromotetrafluorobenzoic acid,4-bromotetrafluorobenzene carboxylic acid,benzoicacid, 4-bromo-2,3,5,6-tetrafluoro,benzoic acid, 4-bromo-2,3,5,6-tetrafluoro,4-bromo-2,3,5,6-tetrafluorobenzoic acid,4-bromanyl-2,3,5,6-tetrakis fluoranyl benzoic acid PubChem CID: 298173 IUPAC Name: 4-bromo-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)O

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Specifications

PubChem CID	298173
CAS	4707-24-8
Molecular Weight (g/mol)	272.981
MDL Number	MFCD00075244
SMILES	C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)O
Synonym	4-bromo-2,3,5,6-tetrafluoro-benzoic acid,acmc-1arsf,4-bromotetrafluorobenzoic acid,4-bromotetrafluorobenzene carboxylic acid,benzoicacid, 4-bromo-2,3,5,6-tetrafluoro,benzoic acid, 4-bromo-2,3,5,6-tetrafluoro,4-bromo-2,3,5,6-tetrafluorobenzoic acid,4-bromanyl-2,3,5,6-tetrakis fluoranyl benzoic acid
IUPAC Name	4-bromo-2,3,5,6-tetrafluorobenzoic acid
InChI Key	MTZLICDXLGQWJV-UHFFFAOYSA-N
Molecular Formula	C7HBrF4O2

3,522

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2-Bromo-4-(trifluoromethyl)benzoic acid, 98%

CAS: 328-89-2 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.017 MDL Number: MFCD07368837 InChI Key: SINIIFNWZPCJGU-UHFFFAOYSA-N Synonym: 2-bromo-4-trifluoromethyl benzoic acid,3-bromo-4-carboxybenzotrifluoride,benzoic acid, 2-bromo-4-trifluoromethyl,2-bromo-4-trifluoromethyl-benzoic acid,2-bromo-4-trifluoromethylbenzoicacid,pubchem3184,acmc-209hwv,ksc495g8h,2-bromo-4-trifluoromethyl-benzoic acid;2-brom-4-trifluormethyl-benzoesaeure;2-bromo-4-trifluoromethylbenzoic acid;2-brom-4-trifluormethylbenzolsaure; PubChem CID: 67605 IUPAC Name: 2-bromo-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(=O)O

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Specifications

PubChem CID	67605
CAS	328-89-2
Molecular Weight (g/mol)	269.017
MDL Number	MFCD07368837
SMILES	C1=CC(=C(C=C1C(F)(F)F)Br)C(=O)O
Synonym	2-bromo-4-trifluoromethyl benzoic acid,3-bromo-4-carboxybenzotrifluoride,benzoic acid, 2-bromo-4-trifluoromethyl,2-bromo-4-trifluoromethyl-benzoic acid,2-bromo-4-trifluoromethylbenzoicacid,pubchem3184,acmc-209hwv,ksc495g8h,2-bromo-4-trifluoromethyl-benzoic acid;2-brom-4-trifluormethyl-benzoesaeure;2-bromo-4-trifluoromethylbenzoic acid;2-brom-4-trifluormethylbenzolsaure;
IUPAC Name	2-bromo-4-(trifluoromethyl)benzoic acid
InChI Key	SINIIFNWZPCJGU-UHFFFAOYSA-N
Molecular Formula	C8H4BrF3O2

3,523

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4'-Fluorobiphenyl-4-carboxylic acid, 96%

CAS: 5731-10-2 Molecular Formula: C13H8FO2 Molecular Weight (g/mol): 215.20 MDL Number: MFCD01631909 InChI Key: LXWNTLBMNCXRQN-UHFFFAOYSA-M Synonym: 4-4-fluorophenyl benzoic acid,4'-fluoro-biphenyl-4-carboxylic acid,4'-fluorobiphenyl-4-carboxylic acid,4'-fluoro-1,1'-biphenyl-4-carboxylic acid,4-biphenyl-4'-fluoro-carboxylic acid,4'-fluoro-biphenyl-4-carboxylic acid,4-fluoro-biphenyl-4-carboxylic acid,4'-fluoro 1,1'-biphenyl-4-carboxylic acid,4fc PubChem CID: 2782689 IUPAC Name: 4-(4-fluorophenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O

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Specifications

PubChem CID	2782689
CAS	5731-10-2
Molecular Weight (g/mol)	215.20
MDL Number	MFCD01631909
SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O
Synonym	4-4-fluorophenyl benzoic acid,4'-fluoro-biphenyl-4-carboxylic acid,4'-fluorobiphenyl-4-carboxylic acid,4'-fluoro-1,1'-biphenyl-4-carboxylic acid,4-biphenyl-4'-fluoro-carboxylic acid,4'-fluoro-biphenyl-4-carboxylic acid,4-fluoro-biphenyl-4-carboxylic acid,4'-fluoro 1,1'-biphenyl-4-carboxylic acid,4fc
IUPAC Name	4-(4-fluorophenyl)benzoic acid
InChI Key	LXWNTLBMNCXRQN-UHFFFAOYSA-M
Molecular Formula	C13H8FO2

3,524

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3-(2-Fluorophenyl)-1H-pyrazole, 98%

CAS: 149739-32-2 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.17 MDL Number: MFCD00973917 InChI Key: PZNGOFHHOGORBU-UHFFFAOYSA-N Synonym: 3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole PubChem CID: 2774734 IUPAC Name: 5-(2-fluorophenyl)-1H-pyrazole SMILES: FC1=CC=CC=C1C1=CC=NN1

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Specifications

PubChem CID	2774734
CAS	149739-32-2
Molecular Weight (g/mol)	162.17
MDL Number	MFCD00973917
SMILES	FC1=CC=CC=C1C1=CC=NN1
Synonym	3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole
IUPAC Name	5-(2-fluorophenyl)-1H-pyrazole
InChI Key	PZNGOFHHOGORBU-UHFFFAOYSA-N
Molecular Formula	C9H7FN2

3,525

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4-Acetamidobenzyl alcohol, 97%

CAS: 16375-88-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00016868 InChI Key: XEYORFKUJZEQCH-UHFFFAOYSA-N Synonym: 4-acetamidobenzyl alcohol,n-4-hydroxymethyl phenyl acetamide,4-acetaminobenzyl alcohol,4-acetamidobenzylalcohol,n-4-hydroxymethyl-phenyl-acetamide,p-acetaminobenzyl alcohol,acetamide, n-4-hydroxymethyl phenyl,4-acetylamino benzyl alcohol PubChem CID: 152141 IUPAC Name: N-[4-(hydroxymethyl)phenyl]acetamide SMILES: CC(=O)NC1=CC=C(CO)C=C1

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Specifications

PubChem CID	152141
CAS	16375-88-5
Molecular Weight (g/mol)	165.19
MDL Number	MFCD00016868
SMILES	CC(=O)NC1=CC=C(CO)C=C1
Synonym	4-acetamidobenzyl alcohol,n-4-hydroxymethyl phenyl acetamide,4-acetaminobenzyl alcohol,4-acetamidobenzylalcohol,n-4-hydroxymethyl-phenyl-acetamide,p-acetaminobenzyl alcohol,acetamide, n-4-hydroxymethyl phenyl,4-acetylamino benzyl alcohol
IUPAC Name	N-[4-(hydroxymethyl)phenyl]acetamide
InChI Key	XEYORFKUJZEQCH-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

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