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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2,791 – 2,805 of 119,466 results

2,791

[2-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 478189-93-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064960 InChI Key: RMRHXMQGVDIPCL-UHFFFAOYSA-N Synonym: 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 22932192 IUPAC Name: [2-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=CC=C2CO

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Specifications

PubChem CID	22932192
CAS	478189-93-4
Molecular Weight (g/mol)	208.257
MDL Number	MFCD09064960
SMILES	C1COCCC1OC2=CC=CC=C2CO
Synonym	2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name	[2-(oxan-4-yloxy)phenyl]methanol
InChI Key	RMRHXMQGVDIPCL-UHFFFAOYSA-N
Molecular Formula	C12H16O3

2,792

(3-Pyrimidin-2-ylphenyl)methanol, 97%, Thermo Scientific™

CAS: 892502-12-4 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD09064977 InChI Key: WMNXGJMCXOLBBV-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-ylphenyl methanol,3-pyrimidin-2-yl phenyl methanol,benzenemethanol,3-2-pyrimidinyl,3-pyrimidin-2-yl-benzyl alcohol,benzenemethanol, 3-2-pyrimidinyl,3-pyrimidin-2-ylphenyl methan-1-ol PubChem CID: 24229565 SMILES: OCC1=CC=CC(=C1)C1=NC=CC=N1

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Specifications

PubChem CID	24229565
CAS	892502-12-4
Molecular Weight (g/mol)	186.21
MDL Number	MFCD09064977
SMILES	OCC1=CC=CC(=C1)C1=NC=CC=N1
Synonym	3-pyrimidin-2-ylphenyl methanol,3-pyrimidin-2-yl phenyl methanol,benzenemethanol,3-2-pyrimidinyl,3-pyrimidin-2-yl-benzyl alcohol,benzenemethanol, 3-2-pyrimidinyl,3-pyrimidin-2-ylphenyl methan-1-ol
InChI Key	WMNXGJMCXOLBBV-UHFFFAOYSA-N
Molecular Formula	C11H10N2O

2,793

[3-(Phenoxymethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 34904-99-9 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD09025916 InChI Key: ZKZSJQJXKWKOJY-UHFFFAOYSA-N Synonym: 3-phenoxymethyl phenyl methanol,3-phenoxymethyl phenyl methan-1-ol PubChem CID: 12399930 IUPAC Name: [3-(phenoxymethyl)phenyl]methanol SMILES: C1=CC=C(C=C1)OCC2=CC=CC(=C2)CO

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Specifications

PubChem CID	12399930
CAS	34904-99-9
Molecular Weight (g/mol)	214.264
MDL Number	MFCD09025916
SMILES	C1=CC=C(C=C1)OCC2=CC=CC(=C2)CO
Synonym	3-phenoxymethyl phenyl methanol,3-phenoxymethyl phenyl methan-1-ol
IUPAC Name	[3-(phenoxymethyl)phenyl]methanol
InChI Key	ZKZSJQJXKWKOJY-UHFFFAOYSA-N
Molecular Formula	C14H14O2

2,794

5-chloro-2-nitro-4-(trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 35375-74-7 Molecular Formula: C7H4ClF3N2O2 Molecular Weight (g/mol): 240.566 MDL Number: MFCD01312277 InChI Key: AAMCWLIPRMIPBN-UHFFFAOYSA-N Synonym: 5-chloro-2-nitro-4-trifluoromethyl aniline,4-amino-2-chloro-5-nitrobenzotrifluoride,5-chloro-2-nitro-4-trifluoromethyl benzenamine,3-chloro-6-nitro-4-trifluoromethyl aniline,5-chloro-2-nitro-4-trifluoromethyl-phenylamine,5-chloro-2-nitro-4-trifluoromethyl phenylamine,5-chloro-4-trifluoromethyl-2-nitroaniline,benzenamine, 5-chloro-2-nitro-4-trifluoromethyl,5-chloro-2-nitro-4-trifluoromethylphenyl amine,pubchem2803 PubChem CID: 2773813 IUPAC Name: 5-chloro-2-nitro-4-(trifluoromethyl)aniline SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F

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Specifications

PubChem CID	2773813
CAS	35375-74-7
Molecular Weight (g/mol)	240.566
MDL Number	MFCD01312277
SMILES	C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
Synonym	5-chloro-2-nitro-4-trifluoromethyl aniline,4-amino-2-chloro-5-nitrobenzotrifluoride,5-chloro-2-nitro-4-trifluoromethyl benzenamine,3-chloro-6-nitro-4-trifluoromethyl aniline,5-chloro-2-nitro-4-trifluoromethyl-phenylamine,5-chloro-2-nitro-4-trifluoromethyl phenylamine,5-chloro-4-trifluoromethyl-2-nitroaniline,benzenamine, 5-chloro-2-nitro-4-trifluoromethyl,5-chloro-2-nitro-4-trifluoromethylphenyl amine,pubchem2803
IUPAC Name	5-chloro-2-nitro-4-(trifluoromethyl)aniline
InChI Key	AAMCWLIPRMIPBN-UHFFFAOYSA-N
Molecular Formula	C7H4ClF3N2O2

2,795

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid, Thermo Scientific™

CAS: 499771-21-0 Molecular Formula: C11H8F3N3O2 Molecular Weight (g/mol): 271.199 InChI Key: IRJLZHQBWAUKGA-UHFFFAOYSA-N Synonym: 5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid PubChem CID: 2804089 IUPAC Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid SMILES: CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O

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Specifications

PubChem CID	2804089
CAS	499771-21-0
Molecular Weight (g/mol)	271.199
SMILES	CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O
Synonym	5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid
IUPAC Name	5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
InChI Key	IRJLZHQBWAUKGA-UHFFFAOYSA-N
Molecular Formula	C11H8F3N3O2

2,796

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Methyl 3-(bromomethyl)benzoate, 95%

CAS: 1129-28-8 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00051437 InChI Key: YUHSMQQNPRLEEJ-UHFFFAOYSA-N Synonym: methyl 3-bromomethyl benzoate,m-carbomethoxybenzyl bromide,3-bromomethyl benzoic acid methyl ester,benzoic acid, 3-bromomethyl-, methyl ester,methyl-3-bromomethylbenzoate,methyl alpha-bromo-m-toluate,methyl3-bromomethyl benzoate,methyl-3-bromomethyl benzoate,3-carbomethoxybenzyl bromide PubChem CID: 517981 IUPAC Name: methyl 3-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=CC(CBr)=C1

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Specifications

PubChem CID	517981
CAS	1129-28-8
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00051437
SMILES	COC(=O)C1=CC=CC(CBr)=C1
Synonym	methyl 3-bromomethyl benzoate,m-carbomethoxybenzyl bromide,3-bromomethyl benzoic acid methyl ester,benzoic acid, 3-bromomethyl-, methyl ester,methyl-3-bromomethylbenzoate,methyl alpha-bromo-m-toluate,methyl3-bromomethyl benzoate,methyl-3-bromomethyl benzoate,3-carbomethoxybenzyl bromide
IUPAC Name	methyl 3-(bromomethyl)benzoate
InChI Key	YUHSMQQNPRLEEJ-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

2,797

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2-Bromo-4-chloroanisole, 98%, Thermo Scientific™

CAS: 60633-25-2 Molecular Formula: C₇H₆BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00079705 InChI Key: YJEMGEBDXDPBSP-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroanisole,2-bromo-4-chloro-1-methoxy-benzene,benzene, 2-bromo-4-chloro-1-methoxy,4-chloro-2-bromoanisole,pubchem2629,2-bromo4-chloroanisole,4-chloro-2-bromanisole,2-bromo-4-chloro anisole,acmc-1b9j6,ksc490k3r PubChem CID: 521935 IUPAC Name: 2-bromo-4-chloro-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Cl)Br

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Specifications

PubChem CID	521935
CAS	60633-25-2
Molecular Weight (g/mol)	221.48
MDL Number	MFCD00079705
SMILES	COC1=C(C=C(C=C1)Cl)Br
Synonym	2-bromo-4-chloroanisole,2-bromo-4-chloro-1-methoxy-benzene,benzene, 2-bromo-4-chloro-1-methoxy,4-chloro-2-bromoanisole,pubchem2629,2-bromo4-chloroanisole,4-chloro-2-bromanisole,2-bromo-4-chloro anisole,acmc-1b9j6,ksc490k3r
IUPAC Name	2-bromo-4-chloro-1-methoxybenzene
InChI Key	YJEMGEBDXDPBSP-UHFFFAOYSA-N
Molecular Formula	C₇H₆BrClO

2,798

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Methyl 4-(bromomethyl)benzoate, 98%

CAS: 2417-72-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00032453 InChI Key: NLWBJPPMPLPZIE-UHFFFAOYSA-N PubChem CID: 256687 IUPAC Name: methyl 4-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=C(CBr)C=C1

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Specifications

PubChem CID	256687
CAS	2417-72-3
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00032453
SMILES	COC(=O)C1=CC=C(CBr)C=C1
IUPAC Name	methyl 4-(bromomethyl)benzoate
InChI Key	NLWBJPPMPLPZIE-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

2,799

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3-(Trifluoromethyl)benzylamine, 98%

CAS: 2740-83-2 Molecular Formula: C₈H₈F₃N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN

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Specifications

PubChem CID	75962
CAS	2740-83-2
Molecular Weight (g/mol)	175.15
MDL Number	MFCD00008117
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CN
Synonym	3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine
IUPAC Name	[3-(trifluoromethyl)phenyl]methanamine
InChI Key	YKNZTUQUXUXTLE-UHFFFAOYSA-N
Molecular Formula	C₈H₈F₃N

2,800

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3,5-Bis(trifluoromethyl)phenyl isothiocyanate, +99%, Thermo Scientific Chemicals

CAS: 23165-29-9 Molecular Formula: C9H3F6NS Molecular Weight (g/mol): 271.18 MDL Number: MFCD00040838 InChI Key: FXOSSGVJGGNASE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl phenylisothiocyanate,isothiocyanic acid 3,5-bis trifluoromethyl phenyl ester,3,5-di trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-3,5-bis trifluoromethyl,pubchem5019,acmc-209g1w PubChem CID: 2733395 IUPAC Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(=C1)N=C=S)C(F)(F)F

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Specifications

PubChem CID	2733395
CAS	23165-29-9
Molecular Weight (g/mol)	271.18
MDL Number	MFCD00040838
SMILES	FC(F)(F)C1=CC(=CC(=C1)N=C=S)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl phenylisothiocyanate,isothiocyanic acid 3,5-bis trifluoromethyl phenyl ester,3,5-di trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-3,5-bis trifluoromethyl,pubchem5019,acmc-209g1w
IUPAC Name	1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key	FXOSSGVJGGNASE-UHFFFAOYSA-N
Molecular Formula	C9H3F6NS

2,801

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Methyl thiosalicylate, 97%

CAS: 4892-02-8 Molecular Formula: C₈H₈O₂S Molecular Weight (g/mol): 168.22 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S

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Specifications

PubChem CID	21009
CAS	4892-02-8
Molecular Weight (g/mol)	168.22
MDL Number	MFCD00060678
SMILES	COC(=O)C1=CC=CC=C1S
Synonym	methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester
IUPAC Name	methyl 2-sulfanylbenzoate
InChI Key	BAQGCWNPCFABAY-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂S

2,802

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4-Fluoro-2-(trifluoromethyl)phenylboronic acid, 97%

CAS: 182344-16-7 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD08062379 InChI Key: SWUPLEAGZOKLNX-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n PubChem CID: 12109469 IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(C=C(F)C=C1)C(F)(F)F

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Specifications

PubChem CID	12109469
CAS	182344-16-7
Molecular Weight (g/mol)	207.92
MDL Number	MFCD08062379
SMILES	OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
Synonym	4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n
IUPAC Name	[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key	SWUPLEAGZOKLNX-UHFFFAOYSA-N
Molecular Formula	C7H5BF4O2

2,803

Chloramine T sodium salt trihydrate, 100.29%, MP Biomedicals™

CAS: 127-65-1 Molecular Formula: C7H7ClNNaO2S Molecular Weight (g/mol): 227.638 InChI Key: VDQQXEISLMTGAB-UHFFFAOYSA-N Synonym: chloramine-t,chloramine t,chloralone,chlorasan,chlorozone,acti-chlore,chloraseptine,chlorazene,chlorazone,chlorseptol PubChem CID: 3641960 ChEBI: CHEBI:53767 IUPAC Name: sodium;chloro-(4-methylphenyl)sulfonylazanide SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]

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Specifications

PubChem CID	3641960
CAS	127-65-1
Molecular Weight (g/mol)	227.638
ChEBI	CHEBI:53767
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]
Synonym	chloramine-t,chloramine t,chloralone,chlorasan,chlorozone,acti-chlore,chloraseptine,chlorazene,chlorazone,chlorseptol
IUPAC Name	sodium;chloro-(4-methylphenyl)sulfonylazanide
InChI Key	VDQQXEISLMTGAB-UHFFFAOYSA-N
Molecular Formula	C7H7ClNNaO2S

2,804

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Ethyl maltol, 98%

CAS: 11-8-4940 Molecular Formula: C₇H₈O₃ Molecular Weight (g/mol): 140.14

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Specifications

CAS	11-8-4940
Molecular Weight (g/mol)	140.14
Molecular Formula	C₇H₈O₃

2,805

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4-(Chloromethyl)benzyl alcohol, 97%, Thermo Scientific Chemicals

CAS: 16473-35-1 Molecular Formula: C₈H₉ClO Molecular Weight (g/mol): 156.61 InChI Key: OGALXJIOJZXBBP-UHFFFAOYSA-N Synonym: 4-chloromethyl benzyl alcohol,4-chloromethyl phenyl methanol,4-chloromethyl-phenyl-methanol,4-chloromethylbenzyl alcohol,benzenemethanol, 4-chloromethyl,4-chloromethyl benzylalcohol,acmc-20a8hi,p-hydroxymethylbenzyl chloride,4-hydroxymethylbenzyl chloride PubChem CID: 5107660 IUPAC Name: [4-(chloromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CCl

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Specifications

PubChem CID	5107660
CAS	16473-35-1
Molecular Weight (g/mol)	156.61
SMILES	C1=CC(=CC=C1CO)CCl
Synonym	4-chloromethyl benzyl alcohol,4-chloromethyl phenyl methanol,4-chloromethyl-phenyl-methanol,4-chloromethylbenzyl alcohol,benzenemethanol, 4-chloromethyl,4-chloromethyl benzylalcohol,acmc-20a8hi,p-hydroxymethylbenzyl chloride,4-hydroxymethylbenzyl chloride
IUPAC Name	[4-(chloromethyl)phenyl]methanol
InChI Key	OGALXJIOJZXBBP-UHFFFAOYSA-N
Molecular Formula	C₈H₉ClO

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