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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3,646 – 3,660 of 119,768 results

3,646

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

CAS: 82413-63-6 Molecular Formula: C12H15NO2 Molecular Weight (g/mol): 205.257 MDL Number: MFCD05865107 InChI Key: KMAHWHPUXGNVBN-UHFFFAOYSA-N Synonym: 4-morpholinomethyl benzaldehyde,4-morpholin-4-ylmethyl benzaldehyde,4-morpholinomethyl-benzaldehyde,4-4-morpholinylmethyl benzaldehyde,4-morpholin-4-ylmethyl-benzaldehyde,4-4-carboxaldehydebenzyl morpholine,benzaldehyde,4-4-morpholinylmethyl PubChem CID: 2795498 IUPAC Name: 4-(morpholin-4-ylmethyl)benzaldehyde SMILES: C1COCCN1CC2=CC=C(C=C2)C=O

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Specifications

PubChem CID	2795498
CAS	82413-63-6
Molecular Weight (g/mol)	205.257
MDL Number	MFCD05865107
SMILES	C1COCCN1CC2=CC=C(C=C2)C=O
Synonym	4-morpholinomethyl benzaldehyde,4-morpholin-4-ylmethyl benzaldehyde,4-morpholinomethyl-benzaldehyde,4-4-morpholinylmethyl benzaldehyde,4-morpholin-4-ylmethyl-benzaldehyde,4-4-carboxaldehydebenzyl morpholine,benzaldehyde,4-4-morpholinylmethyl
IUPAC Name	4-(morpholin-4-ylmethyl)benzaldehyde
InChI Key	KMAHWHPUXGNVBN-UHFFFAOYSA-N
Molecular Formula	C12H15NO2

3,647

4-(1h-Imidazol-1-ylmethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 102432-03-1 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: PYVCQHSLEIAQET-UHFFFAOYSA-N PubChem CID: 11126983 IUPAC Name: 4-(imidazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=O

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Specifications

PubChem CID	11126983
CAS	102432-03-1
Molecular Weight (g/mol)	186.214
SMILES	C1=CC(=CC=C1CN2C=CN=C2)C=O
IUPAC Name	4-(imidazol-1-ylmethyl)benzaldehyde
InChI Key	PYVCQHSLEIAQET-UHFFFAOYSA-N
Molecular Formula	C11H10N2O

3,648

3-Methoxyphenylisothiocyanate, ≥97%, Thermo Scientific™

CAS: 3125-64-2 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00040335 InChI Key: WHBYCPUKGYEYFU-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,# PubChem CID: 137832 IUPAC Name: 1-isothiocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=S

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Specifications

PubChem CID	137832
CAS	3125-64-2
Molecular Weight (g/mol)	165.21
MDL Number	MFCD00040335
SMILES	COC1=CC=CC(=C1)N=C=S
Synonym	3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,#
IUPAC Name	1-isothiocyanato-3-methoxybenzene
InChI Key	WHBYCPUKGYEYFU-UHFFFAOYSA-N
Molecular Formula	C8H7NOS

3,649

2,4-Dibromo-6-fluoroaniline, 97%, Thermo Scientific™

CAS: 141474-37-5 Molecular Formula: C6H4Br2FN Molecular Weight (g/mol): 268.91 MDL Number: MFCD00042230 InChI Key: YJLXEKFYZIBUPJ-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine PubChem CID: 2736765 IUPAC Name: 2,4-dibromo-6-fluoroaniline SMILES: NC1=C(F)C=C(Br)C=C1Br

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Specifications

PubChem CID	2736765
CAS	141474-37-5
Molecular Weight (g/mol)	268.91
MDL Number	MFCD00042230
SMILES	NC1=C(F)C=C(Br)C=C1Br
Synonym	benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine
IUPAC Name	2,4-dibromo-6-fluoroaniline
InChI Key	YJLXEKFYZIBUPJ-UHFFFAOYSA-N
Molecular Formula	C6H4Br2FN

3,650

5-(4-Bromophenyl)isoxazole, 97%, Thermo Scientific™

CAS: 7064-31-5 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02183532 InChI Key: AVMMSHZGFRWLRI-UHFFFAOYSA-N Synonym: 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh PubChem CID: 2735608 IUPAC Name: 5-(4-bromophenyl)-1,2-oxazole SMILES: C1=CC(=CC=C1C2=CC=NO2)Br

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Specifications

PubChem CID	2735608
CAS	7064-31-5
Molecular Weight (g/mol)	224.057
MDL Number	MFCD02183532
SMILES	C1=CC(=CC=C1C2=CC=NO2)Br
Synonym	5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh
IUPAC Name	5-(4-bromophenyl)-1,2-oxazole
InChI Key	AVMMSHZGFRWLRI-UHFFFAOYSA-N
Molecular Formula	C9H6BrNO

3,651

2-(4-Bromophenoxy)pyridine, ≥95%, Thermo Scientific™

CAS: 4783-82-8 Molecular Formula: C11H8BrNO Molecular Weight (g/mol): 250.10 MDL Number: MFCD08435900 InChI Key: FOKJQGKEVMZAJE-UHFFFAOYSA-N Synonym: 2-4-bromophenoxy pyridine,pyridine,2-4-bromophenoxy,2-4-bromo-phenoxy pyridine,2-4-bromo-phenoxy-pyridine,pyridine, 2-4-bromophenoxy,4-bromo-1-2-pyridyloxy benzene PubChem CID: 23201935 IUPAC Name: 2-(4-bromophenoxy)pyridine SMILES: BrC1=CC=C(OC2=CC=CC=N2)C=C1

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Specifications

PubChem CID	23201935
CAS	4783-82-8
Molecular Weight (g/mol)	250.10
MDL Number	MFCD08435900
SMILES	BrC1=CC=C(OC2=CC=CC=N2)C=C1
Synonym	2-4-bromophenoxy pyridine,pyridine,2-4-bromophenoxy,2-4-bromo-phenoxy pyridine,2-4-bromo-phenoxy-pyridine,pyridine, 2-4-bromophenoxy,4-bromo-1-2-pyridyloxy benzene
IUPAC Name	2-(4-bromophenoxy)pyridine
InChI Key	FOKJQGKEVMZAJE-UHFFFAOYSA-N
Molecular Formula	C11H8BrNO

3,652

2-(4-Bromobenzyl)thiophene, 97%, Thermo Scientific™

CAS: 118150-25-7 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD11841076 InChI Key: GGYCIKURJBHUER-UHFFFAOYSA-N Synonym: 2-4-bromobenzyl thiophene,2-4-bromophenyl methyl thiophene PubChem CID: 15322628 IUPAC Name: 2-[(4-bromophenyl)methyl]thiophene SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)Br

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Specifications

PubChem CID	15322628
CAS	118150-25-7
Molecular Weight (g/mol)	253.157
MDL Number	MFCD11841076
SMILES	C1=CSC(=C1)CC2=CC=C(C=C2)Br
Synonym	2-4-bromobenzyl thiophene,2-4-bromophenyl methyl thiophene
IUPAC Name	2-[(4-bromophenyl)methyl]thiophene
InChI Key	GGYCIKURJBHUER-UHFFFAOYSA-N
Molecular Formula	C11H9BrS

3,653

1-(4-Bromophenoxy)hexane, 97%, Thermo Scientific™

CAS: 30752-19-3 Molecular Formula: C12H17BrO Molecular Weight (g/mol): 257.171 InChI Key: GKLMJONYGGTHHM-UHFFFAOYSA-N Synonym: 1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether PubChem CID: 520492 IUPAC Name: 1-bromo-4-hexoxybenzene SMILES: CCCCCCOC1=CC=C(C=C1)Br

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Specifications

PubChem CID	520492
CAS	30752-19-3
Molecular Weight (g/mol)	257.171
SMILES	CCCCCCOC1=CC=C(C=C1)Br
Synonym	1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether
IUPAC Name	1-bromo-4-hexoxybenzene
InChI Key	GKLMJONYGGTHHM-UHFFFAOYSA-N
Molecular Formula	C12H17BrO

3,654

3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole, 97%, Thermo Scientific™

CAS: 118183-92-9 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 MDL Number: MFCD00487341 InChI Key: YWBIOYGLRGIJRT-UHFFFAOYSA-N PubChem CID: 823560 IUPAC Name: 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)Br

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Specifications

PubChem CID	823560
CAS	118183-92-9
Molecular Weight (g/mol)	239.072
MDL Number	MFCD00487341
SMILES	CC1=NC(=NO1)C2=CC=C(C=C2)Br
IUPAC Name	3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole
InChI Key	YWBIOYGLRGIJRT-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2O

3,655

3,5-Dichloro-4-(2-chloro-4-nitrophenoxy)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 175135-06-5 Molecular Formula: C12H5Cl4NO5S Molecular Weight (g/mol): 417.034 MDL Number: MFCD00052029 InChI Key: YNPAAILIMIGQIH-UHFFFAOYSA-N Synonym: 3,5-dichloro-4-2-chloro-4-nitrophenoxy benzene-1-sulfonyl chloride,3,5-dichloro-4-2-chloro-4-nitrophenoxy benzenesulfonyl chloride,4-2-chloro-4-nitrophenoxy-3,5-dichloro-benzenesulfonyl chloride,4-2-chloro-4-nitrophenoxy-3,5-dichlorobenzenesulfonyl chloride,benzenesulfonylchloride, 3,5-dichloro-4-2-chloro-4-nitrophenoxy PubChem CID: 2774361 IUPAC Name: 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2=C(C=C(C=C2Cl)S(=O)(=O)Cl)Cl

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Specifications

PubChem CID	2774361
CAS	175135-06-5
Molecular Weight (g/mol)	417.034
MDL Number	MFCD00052029
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2=C(C=C(C=C2Cl)S(=O)(=O)Cl)Cl
Synonym	3,5-dichloro-4-2-chloro-4-nitrophenoxy benzene-1-sulfonyl chloride,3,5-dichloro-4-2-chloro-4-nitrophenoxy benzenesulfonyl chloride,4-2-chloro-4-nitrophenoxy-3,5-dichloro-benzenesulfonyl chloride,4-2-chloro-4-nitrophenoxy-3,5-dichlorobenzenesulfonyl chloride,benzenesulfonylchloride, 3,5-dichloro-4-2-chloro-4-nitrophenoxy
IUPAC Name	3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonyl chloride
InChI Key	YNPAAILIMIGQIH-UHFFFAOYSA-N
Molecular Formula	C12H5Cl4NO5S

3,656

4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid, 97%, Thermo Scientific™

CAS: 54557-81-2 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00168683 InChI Key: LMDXEMFSAHAGGP-UHFFFAOYSA-N Synonym: 4-2,3-dihydro-1,4-benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydro-benzo 1,4 dioxin-6-yl-4-oxo-butyric acid,4-2,3-dihydrobenzo b 1,4 dioxin-6-yl-4-oxobutanoic acid,4-3,4-ethylenedioxy phenyl-4-oxobutyric acid,4-2,3-dihydro-1,4,benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydrobenzo b 1,4 dioxin-7-yl-4-oxobutanoic acid,4-oxo-4-2,3-dihydro-1,4-benzodioxin-6-yl butyric acid,4-2h,3h-benzo 3,4-e 1,4-dioxin-6-yl-4-oxobutanoic acid,maybridge1_001974,regid_for_cid_2758835 PubChem CID: 2758835 IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O

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Specifications

PubChem CID	2758835
CAS	54557-81-2
Molecular Weight (g/mol)	236.223
MDL Number	MFCD00168683
SMILES	C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O
Synonym	4-2,3-dihydro-1,4-benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydro-benzo 1,4 dioxin-6-yl-4-oxo-butyric acid,4-2,3-dihydrobenzo b 1,4 dioxin-6-yl-4-oxobutanoic acid,4-3,4-ethylenedioxy phenyl-4-oxobutyric acid,4-2,3-dihydro-1,4,benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydrobenzo b 1,4 dioxin-7-yl-4-oxobutanoic acid,4-oxo-4-2,3-dihydro-1,4-benzodioxin-6-yl butyric acid,4-2h,3h-benzo 3,4-e 1,4-dioxin-6-yl-4-oxobutanoic acid,maybridge1_001974,regid_for_cid_2758835
IUPAC Name	4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid
InChI Key	LMDXEMFSAHAGGP-UHFFFAOYSA-N
Molecular Formula	C12H12O5

3,657

tert-Butyl N-[4-(aminomethyl)phenyl]carbamate, 97%, Thermo Scientific™

CAS: 220298-96-4 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD02183573 InChI Key: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonym: tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate PubChem CID: 2794659 IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

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Specifications

PubChem CID	2794659
CAS	220298-96-4
Molecular Weight (g/mol)	222.29
MDL Number	MFCD02183573
SMILES	CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Synonym	tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate
IUPAC Name	tert-butyl N-[4-(aminomethyl)phenyl]carbamate
InChI Key	URXUHALBOWYXJZ-UHFFFAOYSA-N
Molecular Formula	C12H18N2O2

3,658

2-Amino-4-methylbenzonitrile, 97%, Thermo Scientific™

CAS: 26830-96-6 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00173706 InChI Key: LGNVAEIITHYWCG-UHFFFAOYSA-N Synonym: 2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile PubChem CID: 2801276 IUPAC Name: 2-amino-4-methylbenzonitrile SMILES: CC1=CC=C(C#N)C(N)=C1

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Specifications

PubChem CID	2801276
CAS	26830-96-6
Molecular Weight (g/mol)	132.17
MDL Number	MFCD00173706
SMILES	CC1=CC=C(C#N)C(N)=C1
Synonym	2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile
IUPAC Name	2-amino-4-methylbenzonitrile
InChI Key	LGNVAEIITHYWCG-UHFFFAOYSA-N
Molecular Formula	C8H8N2

3,659

4-(Phenoxymethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 31719-76-3 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00623268 InChI Key: GRBUVHSYBRTCIB-UHFFFAOYSA-M Synonym: 4-phenoxymethyl benzoic acid,4-phenoxymethyl benzenecarboxylic acid,4-phenoxymethyl-benzoic acid,phenoxymethylbenzenecarboxylicacid PubChem CID: 737267 IUPAC Name: 4-(phenoxymethyl)benzoic acid SMILES: [O-]C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	737267
CAS	31719-76-3
Molecular Weight (g/mol)	227.24
MDL Number	MFCD00623268
SMILES	[O-]C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1
Synonym	4-phenoxymethyl benzoic acid,4-phenoxymethyl benzenecarboxylic acid,4-phenoxymethyl-benzoic acid,phenoxymethylbenzenecarboxylicacid
IUPAC Name	4-(phenoxymethyl)benzoic acid
InChI Key	GRBUVHSYBRTCIB-UHFFFAOYSA-M
Molecular Formula	C14H11O3

3,660

3-(Phenoxymethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 31719-75-2 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 InChI Key: URLYREZIPSJJQU-UHFFFAOYSA-N Synonym: 3-phenoxymethyl benzoic acid,benzoic acid,3-phenoxymethyl,4rg PubChem CID: 3729884 IUPAC Name: 3-(phenoxymethyl)benzoic acid SMILES: C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O

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Specifications

PubChem CID	3729884
CAS	31719-75-2
Molecular Weight (g/mol)	228.247
SMILES	C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O
Synonym	3-phenoxymethyl benzoic acid,benzoic acid,3-phenoxymethyl,4rg
IUPAC Name	3-(phenoxymethyl)benzoic acid
InChI Key	URLYREZIPSJJQU-UHFFFAOYSA-N
Molecular Formula	C14H12O3

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