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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7,636 – 7,650 of 59,823 results

7,636

2,4-Dichloro-N-methylbenzylamine 98.0+%, TCI America™

CAS: 5013-77-4 Molecular Formula: C8H9Cl2N Molecular Weight (g/mol): 190.067 MDL Number: MFCD00045185 InChI Key: GUJXWKXDISDARD-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine PubChem CID: 485424 IUPAC Name: 1-(2,4-dichlorophenyl)-N-methylmethanamine SMILES: CNCC1=C(C=C(C=C1)Cl)Cl

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Specifications

PubChem CID	485424
CAS	5013-77-4
Molecular Weight (g/mol)	190.067
MDL Number	MFCD00045185
SMILES	CNCC1=C(C=C(C=C1)Cl)Cl
Synonym	2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine
IUPAC Name	1-(2,4-dichlorophenyl)-N-methylmethanamine
InChI Key	GUJXWKXDISDARD-UHFFFAOYSA-N
Molecular Formula	C8H9Cl2N

7,637

2,4,6-Tris(3-bromophenyl)-1,3,5-triazine 98.0+%, TCI America™

CAS: 890148-78-4 Molecular Formula: C21H12Br3N3 Molecular Weight (g/mol): 546.06 InChI Key: IWHHYACTSSPXDV-UHFFFAOYSA-N PubChem CID: 57872377 IUPAC Name: 2,4,6-tris(3-bromophenyl)-1,3,5-triazine SMILES: C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br

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Specifications

PubChem CID	57872377
CAS	890148-78-4
Molecular Weight (g/mol)	546.06
SMILES	C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
IUPAC Name	2,4,6-tris(3-bromophenyl)-1,3,5-triazine
InChI Key	IWHHYACTSSPXDV-UHFFFAOYSA-N
Molecular Formula	C21H12Br3N3

7,638

4-Dodecyloxyphthalonitrile 99.0+%, TCI America™

CAS: 161082-75-3 Molecular Formula: C20H28N2O Molecular Weight (g/mol): 312.457 MDL Number: MFCD00191413 InChI Key: SWVGQFFVXRAJRQ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-dodecyloxybenzene PubChem CID: 44630254 IUPAC Name: 4-dodecoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N

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Specifications

PubChem CID	44630254
CAS	161082-75-3
Molecular Weight (g/mol)	312.457
MDL Number	MFCD00191413
SMILES	CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N
Synonym	1,2-Dicyano-4-dodecyloxybenzene
IUPAC Name	4-dodecoxybenzene-1,2-dicarbonitrile
InChI Key	SWVGQFFVXRAJRQ-UHFFFAOYSA-N
Molecular Formula	C20H28N2O

7,639

2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™

CAS: 1073339-21-5 Molecular Formula: C13H16BF3O2 Molecular Weight (g/mol): 272.074 MDL Number: MFCD06795676 InChI Key: HBQNDHPCMDZKNT-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene PubChem CID: 17750282 IUPAC Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F

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Specifications

PubChem CID	17750282
CAS	1073339-21-5
Molecular Weight (g/mol)	272.074
MDL Number	MFCD06795676
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F
Synonym	2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene
IUPAC Name	4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI Key	HBQNDHPCMDZKNT-UHFFFAOYSA-N
Molecular Formula	C13H16BF3O2

7,640

4-Aminosalicylic Acid 98.0+%, TCI America™

CAS: 65-49-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Synonym: 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O

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Specifications

PubChem CID	4649
CAS	65-49-6
Molecular Weight (g/mol)	153.137
ChEBI	CHEBI:27565
MDL Number	MFCD00007789
SMILES	C1=CC(=C(C=C1N)O)C(=O)O
Synonym	4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil
IUPAC Name	4-amino-2-hydroxybenzoic acid
InChI Key	WUBBRNOQWQTFEX-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

7,641

4-sec-Butylaniline 98.0+%, TCI America™

CAS: 30273-11-1 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00010223 InChI Key: NVVVQTNTLIAISI-UHFFFAOYNA-N PubChem CID: 121771 IUPAC Name: 4-(butan-2-yl)aniline SMILES: CCC(C)C1=CC=C(N)C=C1

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Specifications

PubChem CID	121771
CAS	30273-11-1
Molecular Weight (g/mol)	149.24
MDL Number	MFCD00010223
SMILES	CCC(C)C1=CC=C(N)C=C1
IUPAC Name	4-(butan-2-yl)aniline
InChI Key	NVVVQTNTLIAISI-UHFFFAOYNA-N
Molecular Formula	C10H15N

7,642

5,8-Dibromo-2,3-bis(4-methoxyphenyl)quinoxaline 98.0+%, TCI America™

CAS: 162967-90-0 Molecular Formula: C22H16Br2N2O2 Molecular Weight (g/mol): 500.19 InChI Key: PEHOANSJGUIQOF-UHFFFAOYSA-N PubChem CID: 57712549 IUPAC Name: 5,8-dibromo-2,3-bis(4-methoxyphenyl)quinoxaline SMILES: COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC=C(C=C4)OC)Br)Br

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Specifications

PubChem CID	57712549
CAS	162967-90-0
Molecular Weight (g/mol)	500.19
SMILES	COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC=C(C=C4)OC)Br)Br
IUPAC Name	5,8-dibromo-2,3-bis(4-methoxyphenyl)quinoxaline
InChI Key	PEHOANSJGUIQOF-UHFFFAOYSA-N
Molecular Formula	C22H16Br2N2O2

7,643

3-Chloro-4-fluorobenzyl Bromide 98.0+%, TCI America™

CAS: 192702-01-5 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD01631551 InChI Key: GGTQWWTYUKXFPP-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorobenzyl bromide,4-bromomethyl-2-chloro-1-fluorobenzene,alpha-bromo-3-chloro-4-fluorotoluene,1-bromomethyl-3-chloro-4-fluorobenzene,3-chloro-4-fluorobenzylbromide,3-chloro-4-fluoro benzyl bromide,benzene, 4-bromomethyl-2-chloro-1-fluoro,pubchem2130,acmc-209ewf,4-bromomethyl-2-chloro-1-fluoro-benzene PubChem CID: 2757542 IUPAC Name: 4-(bromomethyl)-2-chloro-1-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1Cl

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Specifications

PubChem CID	2757542
CAS	192702-01-5
Molecular Weight (g/mol)	223.47
MDL Number	MFCD01631551
SMILES	FC1=CC=C(CBr)C=C1Cl
Synonym	3-chloro-4-fluorobenzyl bromide,4-bromomethyl-2-chloro-1-fluorobenzene,alpha-bromo-3-chloro-4-fluorotoluene,1-bromomethyl-3-chloro-4-fluorobenzene,3-chloro-4-fluorobenzylbromide,3-chloro-4-fluoro benzyl bromide,benzene, 4-bromomethyl-2-chloro-1-fluoro,pubchem2130,acmc-209ewf,4-bromomethyl-2-chloro-1-fluoro-benzene
IUPAC Name	4-(bromomethyl)-2-chloro-1-fluorobenzene
InChI Key	GGTQWWTYUKXFPP-UHFFFAOYSA-N
Molecular Formula	C7H5BrClF

7,644

2-Fluoro-4,5-dimethoxybenzonitrile 98.0+%, TCI America™

CAS: 119396-88-2 Molecular Formula: C9H8FNO2 Molecular Weight (g/mol): 181.166 MDL Number: MFCD00143236 InChI Key: QZKGCLSVCWWARO-UHFFFAOYSA-N Synonym: 4-Cyano-5-fluoroveratrole PubChem CID: 2774258 IUPAC Name: 2-fluoro-4,5-dimethoxybenzonitrile SMILES: COC1=C(C=C(C(=C1)C#N)F)OC

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Specifications

PubChem CID	2774258
CAS	119396-88-2
Molecular Weight (g/mol)	181.166
MDL Number	MFCD00143236
SMILES	COC1=C(C=C(C(=C1)C#N)F)OC
Synonym	4-Cyano-5-fluoroveratrole
IUPAC Name	2-fluoro-4,5-dimethoxybenzonitrile
InChI Key	QZKGCLSVCWWARO-UHFFFAOYSA-N
Molecular Formula	C9H8FNO2

7,645

Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	20161
CAS	4191-73-5
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00016468
SMILES	CC(C)OC(=O)C1=CC=C(O)C=C1
Synonym	isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester
IUPAC Name	propan-2-yl 4-hydroxybenzoate
InChI Key	CMHMMKSPYOOVGI-UHFFFAOYSA-N
Molecular Formula	C10H12O3

7,646

Nitroterephthalic Acid 98.0+%, TCI America™

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

7,647

2-Amino-2'-methyldiphenyl Ether 97.0+%, TCI America™

CAS: 3840-18-4 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00025167 InChI Key: JYJPXACGURQSCB-UHFFFAOYSA-N Synonym: 2-Aminophenyl o-Tolyl Ether, 2-(o-Tolyloxy)aniline PubChem CID: 19692 IUPAC Name: 2-(2-methylphenoxy)aniline SMILES: CC1=CC=CC=C1OC2=CC=CC=C2N

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Specifications

PubChem CID	19692
CAS	3840-18-4
Molecular Weight (g/mol)	199.253
MDL Number	MFCD00025167
SMILES	CC1=CC=CC=C1OC2=CC=CC=C2N
Synonym	2-Aminophenyl o-Tolyl Ether, 2-(o-Tolyloxy)aniline
IUPAC Name	2-(2-methylphenoxy)aniline
InChI Key	JYJPXACGURQSCB-UHFFFAOYSA-N
Molecular Formula	C13H13NO

7,648

3,4'-Diaminodiphenylmethane 98.0+%, TCI America™

CAS: 19430-83-2 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.269 MDL Number: MFCD00014778 InChI Key: FGWQCROGAHMWSU-UHFFFAOYSA-N PubChem CID: 146674 IUPAC Name: 3-[(4-aminophenyl)methyl]aniline SMILES: C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)N

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Specifications

PubChem CID	146674
CAS	19430-83-2
Molecular Weight (g/mol)	198.269
MDL Number	MFCD00014778
SMILES	C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)N
IUPAC Name	3-[(4-aminophenyl)methyl]aniline
InChI Key	FGWQCROGAHMWSU-UHFFFAOYSA-N
Molecular Formula	C13H14N2

7,649

Cinnamyl Acetate 97.0+%, TCI America™

CAS: 103-54-8 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00008722 InChI Key: WJSDHUCWMSHDCR-VMPITWQZSA-N Synonym: cinnamyl acetate,3-phenyl-2-propenyl acetate,3-phenylallyl acetate,cinnamyl alcohol, acetate,acetic acid, cinnamyl ester,trans-cinnamyl acetate,3-phenyl-2-propen-1-yl acetate,gamma-phenylallyl acetate,1-acetoxy-3-phenyl-2-propene,3-phenyl-2-propen-1-ol acetate PubChem CID: 5282110 IUPAC Name: [(E)-3-phenylprop-2-enyl] acetate SMILES: CC(=O)OCC=CC1=CC=CC=C1

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Specifications

PubChem CID	5282110
CAS	103-54-8
Molecular Weight (g/mol)	176.215
MDL Number	MFCD00008722
SMILES	CC(=O)OCC=CC1=CC=CC=C1
Synonym	cinnamyl acetate,3-phenyl-2-propenyl acetate,3-phenylallyl acetate,cinnamyl alcohol, acetate,acetic acid, cinnamyl ester,trans-cinnamyl acetate,3-phenyl-2-propen-1-yl acetate,gamma-phenylallyl acetate,1-acetoxy-3-phenyl-2-propene,3-phenyl-2-propen-1-ol acetate
IUPAC Name	[(E)-3-phenylprop-2-enyl] acetate
InChI Key	WJSDHUCWMSHDCR-VMPITWQZSA-N
Molecular Formula	C11H12O2

7,650

2-Methoxy-5-(trifluoromethyl)aniline 98.0+%, TCI America™

CAS: 349-65-5 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD00042486 InChI Key: RKUSRLUGUVDNKP-UHFFFAOYSA-N Synonym: 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine PubChem CID: 600637 IUPAC Name: 2-methoxy-5-(trifluoromethyl)aniline SMILES: COC1=C(C=C(C=C1)C(F)(F)F)N

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Specifications

PubChem CID	600637
CAS	349-65-5
Molecular Weight (g/mol)	191.153
MDL Number	MFCD00042486
SMILES	COC1=C(C=C(C=C1)C(F)(F)F)N
Synonym	2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine
IUPAC Name	2-methoxy-5-(trifluoromethyl)aniline
InChI Key	RKUSRLUGUVDNKP-UHFFFAOYSA-N
Molecular Formula	C8H8F3NO

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