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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3,826 – 3,840 of 57,023 results

3,826

N-Phenylthiourea, 97%

CAS: 103-85-5 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.22 MDL Number: MFCD00004933 InChI Key: FULZLIGZKMKICU-UHFFFAOYSA-N Synonym: n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea PubChem CID: 676454 ChEBI: CHEBI:46261 IUPAC Name: phenylthiourea SMILES: NC(=S)NC1=CC=CC=C1

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Specifications

PubChem CID	676454
CAS	103-85-5
Molecular Weight (g/mol)	152.22
ChEBI	CHEBI:46261
MDL Number	MFCD00004933
SMILES	NC(=S)NC1=CC=CC=C1
Synonym	n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea
IUPAC Name	phenylthiourea
InChI Key	FULZLIGZKMKICU-UHFFFAOYSA-N
Molecular Formula	C7H8N2S

3,827

Methyl hydrogen isophthalate, 97%

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

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Specifications

PubChem CID	601880
CAS	1877-71-0
Molecular Weight (g/mol)	180.159
MDL Number	MFCD00029972
SMILES	COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym	3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name	3-methoxycarbonylbenzoic acid
InChI Key	WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula	C9H8O4

3,828

(S)-(+)-alpha-Methoxyphenylacetic acid, 99%

CAS: 26164-26-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00064216 InChI Key: DIWVBIXQCNRCFE-QMMMGPOBSA-N Synonym: s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s PubChem CID: 643325 IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

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Specifications

PubChem CID	643325
CAS	26164-26-1
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00064216
SMILES	COC(C1=CC=CC=C1)C(=O)O
Synonym	s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s
IUPAC Name	(2S)-2-methoxy-2-phenylacetic acid
InChI Key	DIWVBIXQCNRCFE-QMMMGPOBSA-N
Molecular Formula	C9H10O3

3,829

2-[3-(Chloromethyl)phenyl]pyrimidine, 97%, Thermo Scientific™

CAS: 898289-51-5 Molecular Formula: C11H9ClN2 Molecular Weight (g/mol): 204.657 MDL Number: MFCD09064978 InChI Key: AUWJTKGKFPDHDU-UHFFFAOYSA-N Synonym: 2-3-chloromethyl phenyl pyrimidine,3-pyrimidin-2-ylbenzyl chloride,pyrimidine, 2-3-chloromethyl phenyl,pyrimidine, 2-3-chloromethyl phenyl-9ci PubChem CID: 24229567 IUPAC Name: 2-[3-(chloromethyl)phenyl]pyrimidine SMILES: C1=CC(=CC(=C1)CCl)C2=NC=CC=N2

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Specifications

PubChem CID	24229567
CAS	898289-51-5
Molecular Weight (g/mol)	204.657
MDL Number	MFCD09064978
SMILES	C1=CC(=CC(=C1)CCl)C2=NC=CC=N2
Synonym	2-3-chloromethyl phenyl pyrimidine,3-pyrimidin-2-ylbenzyl chloride,pyrimidine, 2-3-chloromethyl phenyl,pyrimidine, 2-3-chloromethyl phenyl-9ci
IUPAC Name	2-[3-(chloromethyl)phenyl]pyrimidine
InChI Key	AUWJTKGKFPDHDU-UHFFFAOYSA-N
Molecular Formula	C11H9ClN2

3,830

N-Methyl-4-(phenoxymethyl)benzylamine, 95%, Thermo Scientific™

CAS: 941716-90-1 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.31 MDL Number: MFCD09879942 InChI Key: PSMWUOSOWNRPOJ-UHFFFAOYSA-N Synonym: n-methyl-4-phenoxymethyl benzylamine,methyl 4-phenoxymethyl phenyl methyl amine,n-methyl-1-4-phenoxymethyl phenyl methanamine PubChem CID: 24229704 SMILES: CNCC1=CC=C(COC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	24229704
CAS	941716-90-1
Molecular Weight (g/mol)	227.31
MDL Number	MFCD09879942
SMILES	CNCC1=CC=C(COC2=CC=CC=C2)C=C1
Synonym	n-methyl-4-phenoxymethyl benzylamine,methyl 4-phenoxymethyl phenyl methyl amine,n-methyl-1-4-phenoxymethyl phenyl methanamine
InChI Key	PSMWUOSOWNRPOJ-UHFFFAOYSA-N
Molecular Formula	C15H17NO

3,831

N-Methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine, ≥97%, Thermo Scientific™

CAS: 915707-57-2 Molecular Formula: C14H23N3 Molecular Weight (g/mol): 233.359 MDL Number: MFCD09065003 InChI Key: OEVIJYRNRIFBSO-UHFFFAOYSA-N Synonym: n-methyl-2-4-methylperhydro-1,4-diazepin-1-yl benzylamine,methyl 2-4-methyl-1,4-diazepan-1-yl phenyl methyl amine,n-methyl-2-4-methylhomopiperazin-1-yl benzylamine,n-methyl-1-2-4-methyl-1,4-diazepan-1-yl phenyl methanamine,methyl 2-4-methyl 1,4-diazaperhydroepinyl phenyl methyl amine,benzenemethanamine,2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-n-methyl PubChem CID: 24229620 IUPAC Name: N-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine SMILES: CNCC1=CC=CC=C1N2CCCN(CC2)C

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Specifications

PubChem CID	24229620
CAS	915707-57-2
Molecular Weight (g/mol)	233.359
MDL Number	MFCD09065003
SMILES	CNCC1=CC=CC=C1N2CCCN(CC2)C
Synonym	n-methyl-2-4-methylperhydro-1,4-diazepin-1-yl benzylamine,methyl 2-4-methyl-1,4-diazepan-1-yl phenyl methyl amine,n-methyl-2-4-methylhomopiperazin-1-yl benzylamine,n-methyl-1-2-4-methyl-1,4-diazepan-1-yl phenyl methanamine,methyl 2-4-methyl 1,4-diazaperhydroepinyl phenyl methyl amine,benzenemethanamine,2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-n-methyl
IUPAC Name	N-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
InChI Key	OEVIJYRNRIFBSO-UHFFFAOYSA-N
Molecular Formula	C14H23N3

3,832

n-(3-Formylphenyl)methanesulfonamide, ≥97%, Thermo Scientific™

CAS: 55512-05-5 Molecular Formula: C8H9NO3S Molecular Weight (g/mol): 199.22 MDL Number: MFCD03198179 InChI Key: CBDSSTWZEANOCR-UHFFFAOYSA-N Synonym: n-3-formylphenyl methanesulfonamide,3-methylsulfonamido benzaldehyde,methanesulfonamide, n-3-formylphenyl,3-methylsulfonyl amino benzaldehyde,n-3-formylphenyl methanesulphonamide,m-methylsulfonylamino benzaldehyde,3-methylsulfonylamino benzaldehyde,methanesulfonamide,n-3-formylphenyl,n-3-formyl-phenyl-methanesulfonamide PubChem CID: 2794787 IUPAC Name: N-(3-formylphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC(C=O)=C1

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Specifications

PubChem CID	2794787
CAS	55512-05-5
Molecular Weight (g/mol)	199.22
MDL Number	MFCD03198179
SMILES	CS(=O)(=O)NC1=CC=CC(C=O)=C1
Synonym	n-3-formylphenyl methanesulfonamide,3-methylsulfonamido benzaldehyde,methanesulfonamide, n-3-formylphenyl,3-methylsulfonyl amino benzaldehyde,n-3-formylphenyl methanesulphonamide,m-methylsulfonylamino benzaldehyde,3-methylsulfonylamino benzaldehyde,methanesulfonamide,n-3-formylphenyl,n-3-formyl-phenyl-methanesulfonamide
IUPAC Name	N-(3-formylphenyl)methanesulfonamide
InChI Key	CBDSSTWZEANOCR-UHFFFAOYSA-N
Molecular Formula	C8H9NO3S

3,833

2-Fluorobenzoyl chloride, 97%

CAS: 393-52-2 Molecular Formula: C₇H₄ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000656 InChI Key: RAAGZOYMEQDCTD-UHFFFAOYSA-N Synonym: o-fluorobenzoyl chloride,benzoyl chloride, 2-fluoro,benzoyl chloride, o-fluoro,2-fluorobenzoylchloride,2-fluoro benzoyl chloride,unii-z4h017n76s,ccris 5914,fluorobenzoyl chloride,benzoyl chloride, fluoro,2-fluorobenzoic acid chloride PubChem CID: 9808 IUPAC Name: 2-fluorobenzoyl chloride SMILES: C1=CC=C(C(=C1)C(=O)Cl)F

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Specifications

PubChem CID	9808
CAS	393-52-2
Molecular Weight (g/mol)	158.56
MDL Number	MFCD00000656
SMILES	C1=CC=C(C(=C1)C(=O)Cl)F
Synonym	o-fluorobenzoyl chloride,benzoyl chloride, 2-fluoro,benzoyl chloride, o-fluoro,2-fluorobenzoylchloride,2-fluoro benzoyl chloride,unii-z4h017n76s,ccris 5914,fluorobenzoyl chloride,benzoyl chloride, fluoro,2-fluorobenzoic acid chloride
IUPAC Name	2-fluorobenzoyl chloride
InChI Key	RAAGZOYMEQDCTD-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClFO

3,834

o-Toluidine, 99%

CAS: 95-53-4 Molecular Formula: C₇H₉N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N

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Specifications

PubChem CID	7242
CAS	95-53-4
Molecular Weight (g/mol)	107.15
ChEBI	CHEBI:66892
MDL Number	MFCD00007730
SMILES	CC1=CC=CC=C1N
Synonym	o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine
IUPAC Name	2-methylaniline
InChI Key	RNVCVTLRINQCPJ-UHFFFAOYSA-N
Molecular Formula	C₇H₉N

3,835

2,6-Dichlorobenzamide, 97%

CAS: 2008-58-4 Molecular Formula: C₇H₅Cl₂NO Molecular Weight (g/mol): 190.03 MDL Number: MFCD00007975 InChI Key: JHSPCUHPSIUQRB-UHFFFAOYSA-N Synonym: benzamide, 2,6-dichloro,2,6-bam,unii-e9jwf529eb,2,6-dichlorobenzoic acid amide,bam,e9jwf529eb,benzamide,6-dichloro,dsstox_cid_2170,acmc-209f5j,dsstox_rid_76511 PubChem CID: 16183 ChEBI: CHEBI:28435 IUPAC Name: 2,6-dichlorobenzamide SMILES: C1=CC(=C(C(=C1)Cl)C(=O)N)Cl

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Specifications

PubChem CID	16183
CAS	2008-58-4
Molecular Weight (g/mol)	190.03
ChEBI	CHEBI:28435
MDL Number	MFCD00007975
SMILES	C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
Synonym	benzamide, 2,6-dichloro,2,6-bam,unii-e9jwf529eb,2,6-dichlorobenzoic acid amide,bam,e9jwf529eb,benzamide,6-dichloro,dsstox_cid_2170,acmc-209f5j,dsstox_rid_76511
IUPAC Name	2,6-dichlorobenzamide
InChI Key	JHSPCUHPSIUQRB-UHFFFAOYSA-N
Molecular Formula	C₇H₅Cl₂NO

3,836

4-(4-Methylperhydro-1,4-diazepin-1-yl)benzoic acid hydrochloride hydrate, 95%, Thermo Scientific™

CAS: 303134-03-4 Molecular Formula: C13H19ClN2O2 Molecular Weight (g/mol): 270.757 MDL Number: MFCD09064999 InChI Key: KJZVHMAKWMCIBB-UHFFFAOYSA-N Synonym: 4-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,4-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1 PubChem CID: 24229616 IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride SMILES: CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.Cl

Pricing & Availability
Specifications

PubChem CID	24229616
CAS	303134-03-4
Molecular Weight (g/mol)	270.757
MDL Number	MFCD09064999
SMILES	CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.Cl
Synonym	4-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,4-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1
IUPAC Name	4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride
InChI Key	KJZVHMAKWMCIBB-UHFFFAOYSA-N
Molecular Formula	C13H19ClN2O2

3,837

1,3-Diiodobenzene, 98+%

CAS: 626-00-6 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.907 MDL Number: MFCD00041731 InChI Key: SFPQFQUXAJOWNF-UHFFFAOYSA-N Synonym: m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo PubChem CID: 12270 IUPAC Name: 1,3-diiodobenzene SMILES: C1=CC(=CC(=C1)I)I

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Specifications

PubChem CID	12270
CAS	626-00-6
Molecular Weight (g/mol)	329.907
MDL Number	MFCD00041731
SMILES	C1=CC(=CC(=C1)I)I
Synonym	m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo
IUPAC Name	1,3-diiodobenzene
InChI Key	SFPQFQUXAJOWNF-UHFFFAOYSA-N
Molecular Formula	C6H4I2

3,838

4-(Morpholine-4-sulfonyl)-benzenesulfonyl chloride, Technical Grade, Thermo Scientific™

CAS: 465514-13-0 Molecular Formula: C10H12ClNO5S2 Molecular Weight (g/mol): 325.778 InChI Key: ZZSBUDUHESWZJB-UHFFFAOYSA-N Synonym: 4-morpholin-4-ylsulfonyl benzenesulfonyl chloride,4-morpholine-4-sulfonyl benzene-1-sulfonyl chloride,4-morpholinosulfonyl benzene-1-sulfonyl chloride,4-morpholine-4-sulfonyl benzenesulfonyl chloride,4-morpholine-4-sulfonyl-benzenesulfonyl chloride,4-morpholine-4-sulfonyl phenylsulfonyl chloride,4-morpholine-4-sulfonyl-benzenesulfonylchloride PubChem CID: 2779790 IUPAC Name: 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl

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Specifications

PubChem CID	2779790
CAS	465514-13-0
Molecular Weight (g/mol)	325.778
SMILES	C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
Synonym	4-morpholin-4-ylsulfonyl benzenesulfonyl chloride,4-morpholine-4-sulfonyl benzene-1-sulfonyl chloride,4-morpholinosulfonyl benzene-1-sulfonyl chloride,4-morpholine-4-sulfonyl benzenesulfonyl chloride,4-morpholine-4-sulfonyl-benzenesulfonyl chloride,4-morpholine-4-sulfonyl phenylsulfonyl chloride,4-morpholine-4-sulfonyl-benzenesulfonylchloride
IUPAC Name	4-morpholin-4-ylsulfonylbenzenesulfonyl chloride
InChI Key	ZZSBUDUHESWZJB-UHFFFAOYSA-N
Molecular Formula	C10H12ClNO5S2

3,839

3,5-Dinitroaniline, 98%

CAS: 618-87-1 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro PubChem CID: 12068 IUPAC Name: 3,5-dinitroaniline SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

Pricing & Availability
Specifications

PubChem CID	12068
CAS	618-87-1
MDL Number	MFCD00007263
SMILES	C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
Synonym	benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro
IUPAC Name	3,5-dinitroaniline
InChI Key	MPBZUKLDHPOCLS-UHFFFAOYSA-N

3,840

2,4-Difluoromandelic acid, 97%

CAS: 132741-30-1 Molecular Formula: C8H6F2O3 Molecular Weight (g/mol): 188.13 MDL Number: MFCD00061296 InChI Key: RRRQFGNNRJHLNV-UHFFFAOYSA-N Synonym: 2,4-difluoromandelic acid,2-2,4-difluorophenyl-2-hydroxyacetic acid,2,4-difluorophenyl hydroxy acetic acid,2,4-difluoro mandelic acid,2,4-difluoro-a-hydroxyphenylacetic acid,alpha-hydroxy-2,4-difluorophenylacetic acid,2,4-difluorophenyl hydroxy acetic acid #,2,4-difluoro-alpha-hydroxybenzeneacetic acid,currency-hydroxy-2,4-difluorophenylacetic acid PubChem CID: 588651 IUPAC Name: 2-(2,4-difluorophenyl)-2-hydroxyacetic acid SMILES: C1=CC(=C(C=C1F)F)C(C(=O)O)O

Pricing & Availability
Specifications

PubChem CID	588651
CAS	132741-30-1
Molecular Weight (g/mol)	188.13
MDL Number	MFCD00061296
SMILES	C1=CC(=C(C=C1F)F)C(C(=O)O)O
Synonym	2,4-difluoromandelic acid,2-2,4-difluorophenyl-2-hydroxyacetic acid,2,4-difluorophenyl hydroxy acetic acid,2,4-difluoro mandelic acid,2,4-difluoro-a-hydroxyphenylacetic acid,alpha-hydroxy-2,4-difluorophenylacetic acid,2,4-difluorophenyl hydroxy acetic acid #,2,4-difluoro-alpha-hydroxybenzeneacetic acid,currency-hydroxy-2,4-difluorophenylacetic acid
IUPAC Name	2-(2,4-difluorophenyl)-2-hydroxyacetic acid
InChI Key	RRRQFGNNRJHLNV-UHFFFAOYSA-N
Molecular Formula	C8H6F2O3

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