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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7,291 – 7,305 of 57,600 results

7,291

5-Bromo-2-chlorobenzyl Alcohol 98.0+%, TCI America™

CAS: 149965-40-2 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD02683548 InChI Key: SCHBQPIVMBDOQF-UHFFFAOYSA-N PubChem CID: 5074766 IUPAC Name: (5-bromo-2-chlorophenyl)methanol SMILES: OCC1=C(Cl)C=CC(Br)=C1

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Specifications

PubChem CID	5074766
CAS	149965-40-2
Molecular Weight (g/mol)	221.48
MDL Number	MFCD02683548
SMILES	OCC1=C(Cl)C=CC(Br)=C1
IUPAC Name	(5-bromo-2-chlorophenyl)methanol
InChI Key	SCHBQPIVMBDOQF-UHFFFAOYSA-N
Molecular Formula	C7H6BrClO

7,292

3-Chlorobenzoyl Chloride 98.0+%, TCI America™

CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	69252
CAS	618-46-2
Molecular Weight (g/mol)	175.01
MDL Number	MFCD00000671
SMILES	ClC(=O)C1=CC=CC(Cl)=C1
Synonym	m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride
IUPAC Name	3-chlorobenzoyl chloride
InChI Key	WHIHIKVIWVIIER-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O

7,293

2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide 98.0+%, TCI America™

CAS: 24522-30-3 Molecular Formula: C10H7F3N2O Molecular Weight (g/mol): 228.174 MDL Number: MFCD05669245 InChI Key: JBNCFFDGYDZEEN-UHFFFAOYSA-N PubChem CID: 3823803 IUPAC Name: 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N

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Specifications

PubChem CID	3823803
CAS	24522-30-3
Molecular Weight (g/mol)	228.174
MDL Number	MFCD05669245
SMILES	C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N
IUPAC Name	2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
InChI Key	JBNCFFDGYDZEEN-UHFFFAOYSA-N
Molecular Formula	C10H7F3N2O

7,294

3-Bromobenzyl Chloride 98.0+%, TCI America™

CAS: 932-77-4 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040865 InChI Key: UDKGXKYEWBGQCG-UHFFFAOYSA-N Synonym: 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene PubChem CID: 523059 IUPAC Name: 1-bromo-3-(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CCl

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Specifications

PubChem CID	523059
CAS	932-77-4
Molecular Weight (g/mol)	205.479
MDL Number	MFCD00040865
SMILES	C1=CC(=CC(=C1)Br)CCl
Synonym	3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene
IUPAC Name	1-bromo-3-(chloromethyl)benzene
InChI Key	UDKGXKYEWBGQCG-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

7,295

N-Sulfinyl-p-toluenesulfonamide 70.0+%, TCI America™

CAS: 4104-47-6 Molecular Formula: C7H7NO3S2 Molecular Weight (g/mol): 217.257 MDL Number: MFCD00082512 InChI Key: VKTSIMMJOIPMGE-UHFFFAOYSA-N Synonym: N-Thionyl-p-toluenesulfonamide PubChem CID: 562840 IUPAC Name: 4-methyl-N-sulfinylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=S=O

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Specifications

PubChem CID	562840
CAS	4104-47-6
Molecular Weight (g/mol)	217.257
MDL Number	MFCD00082512
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N=S=O
Synonym	N-Thionyl-p-toluenesulfonamide
IUPAC Name	4-methyl-N-sulfinylbenzenesulfonamide
InChI Key	VKTSIMMJOIPMGE-UHFFFAOYSA-N
Molecular Formula	C7H7NO3S2

7,296

4-Amino-N-methylbenzamide 98.0+%, TCI America™

CAS: 6274-22-2 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 InChI Key: XAGFYNSCWICYPA-UHFFFAOYSA-N PubChem CID: 235516 IUPAC Name: 4-amino-N-methylbenzamide SMILES: CNC(=O)C1=CC=C(C=C1)N

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Specifications

PubChem CID	235516
CAS	6274-22-2
Molecular Weight (g/mol)	150.181
SMILES	CNC(=O)C1=CC=C(C=C1)N
IUPAC Name	4-amino-N-methylbenzamide
InChI Key	XAGFYNSCWICYPA-UHFFFAOYSA-N
Molecular Formula	C8H10N2O

7,297

Methyl 2-Bromo-5-nitrobenzoate 98.0+%, TCI America™

CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	245494
CAS	6942-36-5
Molecular Weight (g/mol)	260.043
MDL Number	MFCD00010867
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym	2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
IUPAC Name	methyl 2-bromo-5-nitrobenzoate
InChI Key	VSEYYEKRZNRECT-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

7,298

4-Butoxybenzyl Alcohol 97.0+%, TCI America™

CAS: 6214-45-5 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00004657 InChI Key: MGKNBDBZIKPUFM-UHFFFAOYSA-N Synonym: 4-butoxybenzyl alcohol,4-butoxyphenyl methanol,4-n-butoxybenzyl alcohol,p-butoxybenzyl alcohol,benzenemethanol, 4-butoxy,4-butoxybenzylalcohol,benzenemethanol,4-butoxy,4-butoxy-phenyl-methanol,4-butoxyphenyl methanol #,acmc-1b65d PubChem CID: 80346 IUPAC Name: (4-butoxyphenyl)methanol SMILES: CCCCOC1=CC=C(CO)C=C1

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Specifications

PubChem CID	80346
CAS	6214-45-5
Molecular Weight (g/mol)	180.25
MDL Number	MFCD00004657
SMILES	CCCCOC1=CC=C(CO)C=C1
Synonym	4-butoxybenzyl alcohol,4-butoxyphenyl methanol,4-n-butoxybenzyl alcohol,p-butoxybenzyl alcohol,benzenemethanol, 4-butoxy,4-butoxybenzylalcohol,benzenemethanol,4-butoxy,4-butoxy-phenyl-methanol,4-butoxyphenyl methanol #,acmc-1b65d
IUPAC Name	(4-butoxyphenyl)methanol
InChI Key	MGKNBDBZIKPUFM-UHFFFAOYSA-N
Molecular Formula	C11H16O2

7,299

3-Bromophenylacetic Acid 95.0+%, TCI America™

CAS: 1878-67-7 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00004330 InChI Key: KYNNBXCGXUOREX-UHFFFAOYSA-N Synonym: 3-bromophenylacetic acid,2-3-bromophenyl acetic acid,3-bromophenyl acetic acid,m-bromophenylacetic acid,benzeneacetic acid, 3-bromo,3-bromophenylaceticacid,3-bromo-phenylacetic acid,3-bromphenylacetic acid,pubchem4244 PubChem CID: 74653 IUPAC Name: 2-(3-bromophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(Br)=C1

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Specifications

PubChem CID	74653
CAS	1878-67-7
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00004330
SMILES	OC(=O)CC1=CC=CC(Br)=C1
Synonym	3-bromophenylacetic acid,2-3-bromophenyl acetic acid,3-bromophenyl acetic acid,m-bromophenylacetic acid,benzeneacetic acid, 3-bromo,3-bromophenylaceticacid,3-bromo-phenylacetic acid,3-bromphenylacetic acid,pubchem4244
IUPAC Name	2-(3-bromophenyl)acetic acid
InChI Key	KYNNBXCGXUOREX-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

7,300

4-Benzylthiomorpholine 1,1-Dioxide 98.0+%, TCI America™

CAS: 26475-66-1 Molecular Formula: C11H15NO2S Molecular Weight (g/mol): 225.31 MDL Number: MFCD00084894 InChI Key: KFAMTQFKYUXQKV-UHFFFAOYSA-N PubChem CID: 318454 IUPAC Name: 4-benzyl-1λ⁶-thiomorpholine-1,1-dione SMILES: O=S1(=O)CCN(CC2=CC=CC=C2)CC1

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Specifications

PubChem CID	318454
CAS	26475-66-1
Molecular Weight (g/mol)	225.31
MDL Number	MFCD00084894
SMILES	O=S1(=O)CCN(CC2=CC=CC=C2)CC1
IUPAC Name	4-benzyl-1λ⁶-thiomorpholine-1,1-dione
InChI Key	KFAMTQFKYUXQKV-UHFFFAOYSA-N
Molecular Formula	C11H15NO2S

7,301

3-(4-Bromophenyl)propiolic Acid 98.0+%, TCI America™

CAS: 25294-65-9 Molecular Formula: C9H5BrO2 Molecular Weight (g/mol): 225.04 MDL Number: MFCD03230769 InChI Key: GZFOMZGALYVQDX-UHFFFAOYSA-N Synonym: (4-Bromophenyl)propargylic Acid, 3-(4-Bromophenyl)-2-propynoic Acid PubChem CID: 825805 IUPAC Name: 3-(4-bromophenyl)prop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=C(Br)C=C1

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Specifications

PubChem CID	825805
CAS	25294-65-9
Molecular Weight (g/mol)	225.04
MDL Number	MFCD03230769
SMILES	OC(=O)C#CC1=CC=C(Br)C=C1
Synonym	(4-Bromophenyl)propargylic Acid, 3-(4-Bromophenyl)-2-propynoic Acid
IUPAC Name	3-(4-bromophenyl)prop-2-ynoic acid
InChI Key	GZFOMZGALYVQDX-UHFFFAOYSA-N
Molecular Formula	C9H5BrO2

7,302

Benzoyl-DL-valine 98.0+%, TCI America™

CAS: 2901-80-6 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.256 MDL Number: MFCD00038283 InChI Key: MIYQNOPLWKCHED-UHFFFAOYSA-N PubChem CID: 226682 IUPAC Name: 2-benzamido-3-methylbutanoic acid SMILES: CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	226682
CAS	2901-80-6
Molecular Weight (g/mol)	221.256
MDL Number	MFCD00038283
SMILES	CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1
IUPAC Name	2-benzamido-3-methylbutanoic acid
InChI Key	MIYQNOPLWKCHED-UHFFFAOYSA-N
Molecular Formula	C12H15NO3

7,303

2-Iodo-4-nitrotoluene 97.0+%, TCI America™

CAS: 7745-92-8 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00024329 InChI Key: BUQSRXQJUZTIEW-UHFFFAOYSA-N Synonym: 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 PubChem CID: 82188 IUPAC Name: 2-iodo-1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1I)[N+]([O-])=O

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Specifications

PubChem CID	82188
CAS	7745-92-8
Molecular Weight (g/mol)	263.03
MDL Number	MFCD00024329
SMILES	CC1=CC=C(C=C1I)[N+]([O-])=O
Synonym	2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821
IUPAC Name	2-iodo-1-methyl-4-nitrobenzene
InChI Key	BUQSRXQJUZTIEW-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

7,304

2,5-Di-tert-butylhydroquinone 98.0+%, TCI America™

CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-di-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C

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Specifications

PubChem CID	2374
CAS	88-58-4
Molecular Weight (g/mol)	222.33
ChEBI	CHEBI:41094
MDL Number	MFCD00008825
SMILES	CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
Synonym	2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone
IUPAC Name	2,5-di-tert-butylbenzene-1,4-diol
InChI Key	JZODKRWQWUWGCD-UHFFFAOYSA-N
Molecular Formula	C14H22O2

7,305

Diphenyl Phenylphosphonate 98.0+%, TCI America™

CAS: 3049-24-9 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.29 MDL Number: MFCD00216888 InChI Key: CDOMXXVCZQOOMT-UHFFFAOYSA-N Synonym: Phenylphosphonic Acid Diphenyl Ester PubChem CID: 76448 IUPAC Name: diphenyl phenylphosphonate SMILES: O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	76448
CAS	3049-24-9
Molecular Weight (g/mol)	310.29
MDL Number	MFCD00216888
SMILES	O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1
Synonym	Phenylphosphonic Acid Diphenyl Ester
IUPAC Name	diphenyl phenylphosphonate
InChI Key	CDOMXXVCZQOOMT-UHFFFAOYSA-N
Molecular Formula	C18H15O3P

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Benzene and substituted derivatives

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