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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2,596 – 2,610 of 119,426 results

2,596

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4-Methoxybenzoic acid, 98+%

CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	7478
CAS	100-09-4
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:40813
MDL Number	MFCD00002542
SMILES	COC1=CC=C(C=C1)C(O)=O
Synonym	p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer
IUPAC Name	4-methoxybenzoic acid
InChI Key	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Molecular Formula	C8H8O3

2,597

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2-Hydroxy-3-methoxybenzoic acid, 98+%

CAS: 877-22-5 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002445 InChI Key: AUZQQIPZESHNMG-UHFFFAOYSA-N Synonym: 3-methoxysalicylic acid,o-vanillic acid,acide orthovanillique,benzoic acid, 2-hydroxy-3-methoxy,m-anisic acid, 2-hydroxy,3-hydroxy-m-anisic acid,unii-3j31y0e2im,2-hydroxy-3-methoxy-benzoic acid,3-methoxysalicyclic acid,2-hydroxy-3-methoxy benzoic acid PubChem CID: 70140 ChEBI: CHEBI:68496 IUPAC Name: 2-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1O

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Specifications

PubChem CID	70140
CAS	877-22-5
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:68496
MDL Number	MFCD00002445
SMILES	COC1=CC=CC(C(O)=O)=C1O
Synonym	3-methoxysalicylic acid,o-vanillic acid,acide orthovanillique,benzoic acid, 2-hydroxy-3-methoxy,m-anisic acid, 2-hydroxy,3-hydroxy-m-anisic acid,unii-3j31y0e2im,2-hydroxy-3-methoxy-benzoic acid,3-methoxysalicyclic acid,2-hydroxy-3-methoxy benzoic acid
IUPAC Name	2-hydroxy-3-methoxybenzoic acid
InChI Key	AUZQQIPZESHNMG-UHFFFAOYSA-N
Molecular Formula	C8H8O4

2,598

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Ethyl vanillate, 97%

CAS: 617-05-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017269 InChI Key: MWAYRGBWOVHDDZ-UHFFFAOYSA-N Synonym: ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate PubChem CID: 12038 IUPAC Name: ethyl 4-hydroxy-3-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(OC)=C1

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Specifications

PubChem CID	12038
CAS	617-05-0
Molecular Weight (g/mol)	196.20
MDL Number	MFCD00017269
SMILES	CCOC(=O)C1=CC=C(O)C(OC)=C1
Synonym	ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate
IUPAC Name	ethyl 4-hydroxy-3-methoxybenzoate
InChI Key	MWAYRGBWOVHDDZ-UHFFFAOYSA-N
Molecular Formula	C10H12O4

2,599

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2,3,4-Trimethoxybenzoic acid, 98+%

CAS: 573-11-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002433 InChI Key: HZNQSWJZTWOTKM-UHFFFAOYSA-N Synonym: benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid PubChem CID: 11308 IUPAC Name: 2,3,4-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC

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Specifications

PubChem CID	11308
CAS	573-11-5
Molecular Weight (g/mol)	212.201
MDL Number	MFCD00002433
SMILES	COC1=C(C(=C(C=C1)C(=O)O)OC)OC
Synonym	benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid
IUPAC Name	2,3,4-trimethoxybenzoic acid
InChI Key	HZNQSWJZTWOTKM-UHFFFAOYSA-N
Molecular Formula	C10H12O5

2,600

4-[4-(Bromomethyl)phenyl]-1,2,3-thiadiazole, 97%, Thermo Scientific™

CAS: 163798-92-3 Molecular Formula: C9H7BrN2S Molecular Weight (g/mol): 255.13 MDL Number: MFCD00052102 InChI Key: DGHQOPZIGDRUIT-UHFFFAOYSA-N Synonym: 4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole PubChem CID: 2776454 IUPAC Name: 4-[4-(bromomethyl)phenyl]thiadiazole SMILES: BrCC1=CC=C(C=C1)C1=CSN=N1

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Specifications

PubChem CID	2776454
CAS	163798-92-3
Molecular Weight (g/mol)	255.13
MDL Number	MFCD00052102
SMILES	BrCC1=CC=C(C=C1)C1=CSN=N1
Synonym	4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole
IUPAC Name	4-[4-(bromomethyl)phenyl]thiadiazole
InChI Key	DGHQOPZIGDRUIT-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2S

2,601

4-(Bromomethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 51359-78-5 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 InChI Key: XYPVBKDHERGKJG-UHFFFAOYSA-N PubChem CID: 11206421 IUPAC Name: 4-(bromomethyl)benzaldehyde SMILES: C1=CC(=CC=C1CBr)C=O

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Specifications

PubChem CID	11206421
CAS	51359-78-5
Molecular Weight (g/mol)	199.047
SMILES	C1=CC(=CC=C1CBr)C=O
IUPAC Name	4-(bromomethyl)benzaldehyde
InChI Key	XYPVBKDHERGKJG-UHFFFAOYSA-N
Molecular Formula	C8H7BrO

2,602

N-(4-tert-butylbenzyl)-N-methylamine, Thermo Scientific™

CAS: 65542-26-9 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 InChI Key: ZSHCHOYJMLEAOX-UHFFFAOYSA-N Synonym: n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl PubChem CID: 2396874 IUPAC Name: 1-(4-tert-butylphenyl)-N-methylmethanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CNC

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PubChem CID	2396874
CAS	65542-26-9
Molecular Weight (g/mol)	177.291
SMILES	CC(C)(C)C1=CC=C(C=C1)CNC
Synonym	n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl
IUPAC Name	1-(4-tert-butylphenyl)-N-methylmethanamine
InChI Key	ZSHCHOYJMLEAOX-UHFFFAOYSA-N
Molecular Formula	C12H19N

2,603

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4-Iodophenylacetic acid, 97%

CAS: 1798-06-7 Molecular Formula: C₈H₇IO₂ Molecular Weight (g/mol): 262.05 InChI Key: FJSHTWVDFAUNCO-UHFFFAOYSA-N Synonym: 4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid PubChem CID: 137214 IUPAC Name: 2-(4-iodophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)I

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Specifications

PubChem CID	137214
CAS	1798-06-7
Molecular Weight (g/mol)	262.05
SMILES	C1=CC(=CC=C1CC(=O)O)I
Synonym	4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid
IUPAC Name	2-(4-iodophenyl)acetic acid
InChI Key	FJSHTWVDFAUNCO-UHFFFAOYSA-N
Molecular Formula	C₈H₇IO₂

2,604

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5-Bromo-2-iodobenzonitrile, 98+%

CAS: 121554-10-7 Molecular Formula: C7H3BrIN Molecular Weight (g/mol): 307.916 MDL Number: MFCD00672950 InChI Key: JIGKPMMZNMQXDL-UHFFFAOYSA-N PubChem CID: 7020874 IUPAC Name: 5-bromo-2-iodobenzonitrile SMILES: C1=CC(=C(C=C1Br)C#N)I

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Specifications

PubChem CID	7020874
CAS	121554-10-7
Molecular Weight (g/mol)	307.916
MDL Number	MFCD00672950
SMILES	C1=CC(=C(C=C1Br)C#N)I
IUPAC Name	5-bromo-2-iodobenzonitrile
InChI Key	JIGKPMMZNMQXDL-UHFFFAOYSA-N
Molecular Formula	C7H3BrIN

2,605

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1-Bromo-2-iodobenzene, 99%, stabilized

CAS: 583-55-1 Molecular Formula: C₆H₄BrI Molecular Weight (g/mol): 282.9 MDL Number: MFCD00001030 InChI Key: OIRHKGBNGGSCGS-UHFFFAOYSA-N Synonym: 2-bromoiodobenzene,o-bromoiodobenzene,2-bromo-iodobenzene,benzene, 1-bromo-2-iodo,bromoiodobenzene,1-bromo-2-iodo-benzene,attercop-chm at127403,chemwish ic03500,iodobromobenzene,2-iodobromobenzene PubChem CID: 11415 IUPAC Name: 1-bromo-2-iodobenzene SMILES: C1=CC=C(C(=C1)Br)I

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PubChem CID	11415
CAS	583-55-1
Molecular Weight (g/mol)	282.9
MDL Number	MFCD00001030
SMILES	C1=CC=C(C(=C1)Br)I
Synonym	2-bromoiodobenzene,o-bromoiodobenzene,2-bromo-iodobenzene,benzene, 1-bromo-2-iodo,bromoiodobenzene,1-bromo-2-iodo-benzene,attercop-chm at127403,chemwish ic03500,iodobromobenzene,2-iodobromobenzene
IUPAC Name	1-bromo-2-iodobenzene
InChI Key	OIRHKGBNGGSCGS-UHFFFAOYSA-N
Molecular Formula	C₆H₄BrI

2,606

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1-(4-Chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea, 97%, Thermo Scientific Chemicals

CAS: 369-77-7 Molecular Formula: C14H9Cl2F3N2O Molecular Weight (g/mol): 349.13 MDL Number: MFCD00867294 InChI Key: ZFSXZJXLKAJIGS-UHFFFAOYSA-N Synonym: cloflucarban,halocarban,irgasan cf3,cloflucarbon,trifluoromethyldichlorocarbanilide,unii-i5zzy3dc5g,cloflucarban usan,4,4'-dichloro-3-trifluoromethyl carbanilide,i5zzy3dc5g,halocarban inn PubChem CID: 9719 IUPAC Name: 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea SMILES: FC(F)(F)C1=CC(NC(=O)NC2=CC=C(Cl)C=C2)=CC=C1Cl

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PubChem CID	9719
CAS	369-77-7
Molecular Weight (g/mol)	349.13
MDL Number	MFCD00867294
SMILES	FC(F)(F)C1=CC(NC(=O)NC2=CC=C(Cl)C=C2)=CC=C1Cl
Synonym	cloflucarban,halocarban,irgasan cf3,cloflucarbon,trifluoromethyldichlorocarbanilide,unii-i5zzy3dc5g,cloflucarban usan,4,4'-dichloro-3-trifluoromethyl carbanilide,i5zzy3dc5g,halocarban inn
IUPAC Name	1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
InChI Key	ZFSXZJXLKAJIGS-UHFFFAOYSA-N
Molecular Formula	C14H9Cl2F3N2O

2,607

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Phenylurea, 97%

CAS: 64-10-8 Molecular Formula: C₇H₈N₂O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N

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PubChem CID	6145
CAS	64-10-8
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00007944
SMILES	C1=CC=C(C=C1)NC(=O)N
Synonym	1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea
IUPAC Name	phenylurea
InChI Key	LUBJCRLGQSPQNN-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O

2,608

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1-n-Heptyl-4-iodobenzene, 98%

CAS: 131894-91-2 Molecular Formula: C13H19I Molecular Weight (g/mol): 302.20 MDL Number: MFCD07777084 InChI Key: NHXKOPSTJPLWPK-UHFFFAOYSA-N Synonym: 1-n-heptyl-4-iodobenzene,4-heptyl-1-iodobenzene PubChem CID: 15001646 IUPAC Name: 1-heptyl-4-iodobenzene SMILES: CCCCCCCC1=CC=C(I)C=C1

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PubChem CID	15001646
CAS	131894-91-2
Molecular Weight (g/mol)	302.20
MDL Number	MFCD07777084
SMILES	CCCCCCCC1=CC=C(I)C=C1
Synonym	1-n-heptyl-4-iodobenzene,4-heptyl-1-iodobenzene
IUPAC Name	1-heptyl-4-iodobenzene
InChI Key	NHXKOPSTJPLWPK-UHFFFAOYSA-N
Molecular Formula	C13H19I

2,609

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1-Bromo-4-iodobenzene, 98%

CAS: 589-87-7 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.906 MDL Number: MFCD00001051 InChI Key: UCCUXODGPMAHRL-UHFFFAOYSA-N Synonym: 4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene PubChem CID: 11522 IUPAC Name: 1-bromo-4-iodobenzene SMILES: C1=CC(=CC=C1Br)I

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PubChem CID	11522
CAS	589-87-7
Molecular Weight (g/mol)	282.906
MDL Number	MFCD00001051
SMILES	C1=CC(=CC=C1Br)I
Synonym	4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene
IUPAC Name	1-bromo-4-iodobenzene
InChI Key	UCCUXODGPMAHRL-UHFFFAOYSA-N
Molecular Formula	C6H4BrI

2,610

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2-Iodoaniline, 98+%

CAS: 615-43-0 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD00007680 InChI Key: UBPDKIDWEADHPP-UHFFFAOYSA-N Synonym: o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine PubChem CID: 11995 IUPAC Name: 2-iodoaniline SMILES: NC1=CC=CC=C1I

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Specifications

PubChem CID	11995
CAS	615-43-0
Molecular Weight (g/mol)	219.03
MDL Number	MFCD00007680
SMILES	NC1=CC=CC=C1I
Synonym	o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine
IUPAC Name	2-iodoaniline
InChI Key	UBPDKIDWEADHPP-UHFFFAOYSA-N
Molecular Formula	C6H6IN

Benzene and substituted derivatives

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