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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2,806 – 2,820 of 64,662 results

2,806

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4-Bromo-2-fluorobenzamide, 96%

CAS: 292621-45-5 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD03094432 InChI Key: MJDRFCPNHLHNON-UHFFFAOYSA-N Synonym: acmc-209h7t,4-bromo-2-fluoro-benzamide,benzamide,4-bromo-2-fluoro,benzamide, 4-bromo-2-fluoro PubChem CID: 2773331 IUPAC Name: 4-bromo-2-fluorobenzamide SMILES: C1=CC(=C(C=C1Br)F)C(=O)N

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PubChem CID	2773331
CAS	292621-45-5
Molecular Weight (g/mol)	218.025
MDL Number	MFCD03094432
SMILES	C1=CC(=C(C=C1Br)F)C(=O)N
Synonym	acmc-209h7t,4-bromo-2-fluoro-benzamide,benzamide,4-bromo-2-fluoro,benzamide, 4-bromo-2-fluoro
IUPAC Name	4-bromo-2-fluorobenzamide
InChI Key	MJDRFCPNHLHNON-UHFFFAOYSA-N
Molecular Formula	C7H5BrFNO

2,807

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3-Bromofluorobenzene, 99%

CAS: 1073-06-9 Molecular Formula: C₆H₄BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene SMILES: C1=CC(=CC(=C1)Br)F

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PubChem CID	14082
CAS	1073-06-9
Molecular Weight (g/mol)	175
MDL Number	MFCD00000326
SMILES	C1=CC(=CC(=C1)Br)F
Synonym	3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo
IUPAC Name	1-bromo-3-fluorobenzene
InChI Key	QDFKKJYEIFBEFC-UHFFFAOYSA-N
Molecular Formula	C₆H₄BrF

2,808

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3-Phenoxybenzeneboronic acid, 97+%

CAS: 221006-66-2 Molecular Formula: C12H11BO3 Molecular Weight (g/mol): 214.03 MDL Number: MFCD07780272 InChI Key: LOPQWMNOCSRRSR-UHFFFAOYSA-N Synonym: 3-phenoxyphenyl boronic acid,3-phenoxybenzeneboronic acid,boronic acid, 3-phenoxyphenyl,boronic acid, b-3-phenoxyphenyl,acmc-1cmad PubChem CID: 10130574 IUPAC Name: (3-phenoxyphenyl)boronic acid SMILES: OB(O)C1=CC(OC2=CC=CC=C2)=CC=C1

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Specifications

PubChem CID	10130574
CAS	221006-66-2
Molecular Weight (g/mol)	214.03
MDL Number	MFCD07780272
SMILES	OB(O)C1=CC(OC2=CC=CC=C2)=CC=C1
Synonym	3-phenoxyphenyl boronic acid,3-phenoxybenzeneboronic acid,boronic acid, 3-phenoxyphenyl,boronic acid, b-3-phenoxyphenyl,acmc-1cmad
IUPAC Name	(3-phenoxyphenyl)boronic acid
InChI Key	LOPQWMNOCSRRSR-UHFFFAOYSA-N
Molecular Formula	C12H11BO3

2,809

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3-(2-Fluorophenyl)-1H-pyrazole, 98%

CAS: 149739-32-2 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.17 MDL Number: MFCD00973917 InChI Key: PZNGOFHHOGORBU-UHFFFAOYSA-N Synonym: 3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole PubChem CID: 2774734 IUPAC Name: 5-(2-fluorophenyl)-1H-pyrazole SMILES: FC1=CC=CC=C1C1=CC=NN1

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Specifications

PubChem CID	2774734
CAS	149739-32-2
Molecular Weight (g/mol)	162.17
MDL Number	MFCD00973917
SMILES	FC1=CC=CC=C1C1=CC=NN1
Synonym	3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole
IUPAC Name	5-(2-fluorophenyl)-1H-pyrazole
InChI Key	PZNGOFHHOGORBU-UHFFFAOYSA-N
Molecular Formula	C9H7FN2

2,810

Furosemide, 97+%

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.739 MDL Number: MFCD00010549 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

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Specifications

PubChem CID	3440
CAS	54-31-9
Molecular Weight (g/mol)	330.739
ChEBI	CHEBI:47426
MDL Number	MFCD00010549
SMILES	C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
Synonym	furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin
IUPAC Name	4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
InChI Key	ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula	C12H11ClN2O5S

2,811

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1,3,5-Tribromobenzene, 98%

CAS: 626-39-1 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.80 MDL Number: MFCD00000080 InChI Key: YWDUZLFWHVQCHY-UHFFFAOYSA-N Synonym: benzene, 1,3,5-tribromo,1,3,5-tribromo-benzene,unii-o3td0u1oaq,o3td0u1oaq,paragos 530416,1,5-tribromobenzene,pubchem9590,1,3,5-tribromobezene,benzene,3,5-tribromo,acmc-20a11o PubChem CID: 12279 IUPAC Name: 1,3,5-tribromobenzene SMILES: BrC1=CC(Br)=CC(Br)=C1

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Specifications

PubChem CID	12279
CAS	626-39-1
Molecular Weight (g/mol)	314.80
MDL Number	MFCD00000080
SMILES	BrC1=CC(Br)=CC(Br)=C1
Synonym	benzene, 1,3,5-tribromo,1,3,5-tribromo-benzene,unii-o3td0u1oaq,o3td0u1oaq,paragos 530416,1,5-tribromobenzene,pubchem9590,1,3,5-tribromobezene,benzene,3,5-tribromo,acmc-20a11o
IUPAC Name	1,3,5-tribromobenzene
InChI Key	YWDUZLFWHVQCHY-UHFFFAOYSA-N
Molecular Formula	C6H3Br3

2,812

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4-Fluoro-3-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F

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Specifications

PubChem CID	598129
CAS	42564-51-2
Molecular Weight (g/mol)	169.111
MDL Number	MFCD01861388
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
Synonym	3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde
IUPAC Name	4-fluoro-3-nitrobenzaldehyde
InChI Key	ILKWFRCNNILIJW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

2,813

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2-Bromo-N-methylaniline, 95%

CAS: 6832-87-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD06798064 InChI Key: SMVIAQFTVWDWDS-UHFFFAOYSA-N PubChem CID: 334086 IUPAC Name: 2-bromo-N-methylaniline SMILES: CNC1=CC=CC=C1Br

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Specifications

PubChem CID	334086
CAS	6832-87-7
Molecular Weight (g/mol)	186.052
MDL Number	MFCD06798064
SMILES	CNC1=CC=CC=C1Br
IUPAC Name	2-bromo-N-methylaniline
InChI Key	SMVIAQFTVWDWDS-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

2,814

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2-(2-Bromophenyl)-1,3-dioxolane, 98%

CAS: 34824-58-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00155124 InChI Key: IWSGKSUCFVOWQU-UHFFFAOYSA-N Synonym: 2-2-bromophenyl-1,3-dioxolane,2-bromobenzaldehyde ethylene acetal,1,3-dioxolane, 2-2-bromophenyl,1-bromo-2-1,3-dioxolan-2-yl benzene,2-bromophenyldioxolane,2-bromo benzaldehyde ethylene glycol acetal,2-2-bromo-phenyl-1,3 dioxolane,pubchem3729,acmc-1csyy,bromobenzaldehyde ethylene acetal PubChem CID: 553534 IUPAC Name: 2-(2-bromophenyl)-1,3-dioxolane SMILES: BrC1=CC=CC=C1C1OCCO1

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Specifications

PubChem CID	553534
CAS	34824-58-3
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00155124
SMILES	BrC1=CC=CC=C1C1OCCO1
Synonym	2-2-bromophenyl-1,3-dioxolane,2-bromobenzaldehyde ethylene acetal,1,3-dioxolane, 2-2-bromophenyl,1-bromo-2-1,3-dioxolan-2-yl benzene,2-bromophenyldioxolane,2-bromo benzaldehyde ethylene glycol acetal,2-2-bromo-phenyl-1,3 dioxolane,pubchem3729,acmc-1csyy,bromobenzaldehyde ethylene acetal
IUPAC Name	2-(2-bromophenyl)-1,3-dioxolane
InChI Key	IWSGKSUCFVOWQU-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

2,815

Chlorpropamide

CAS: 94-20-2 Molecular Formula: C10H13ClN2O3S Molecular Weight (g/mol): 276.735 MDL Number: MFCD00079004 InChI Key: RKWGIWYCVPQPMF-UHFFFAOYSA-N Synonym: chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza PubChem CID: 2727 ChEBI: CHEBI:3650 IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-propylurea SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl

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Specifications

PubChem CID	2727
CAS	94-20-2
Molecular Weight (g/mol)	276.735
ChEBI	CHEBI:3650
MDL Number	MFCD00079004
SMILES	CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
Synonym	chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza
IUPAC Name	1-(4-chlorophenyl)sulfonyl-3-propylurea
InChI Key	RKWGIWYCVPQPMF-UHFFFAOYSA-N
Molecular Formula	C10H13ClN2O3S

2,816

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Methyl 2-bromo-3-methylbenzoate, 98%

CAS: 131001-86-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00144762 InChI Key: QAOFGUXVDAZKBW-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h PubChem CID: 10823279 IUPAC Name: methyl 2-bromo-3-methylbenzoate SMILES: COC(=O)C1=C(Br)C(C)=CC=C1

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Specifications

PubChem CID	10823279
CAS	131001-86-0
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00144762
SMILES	COC(=O)C1=C(Br)C(C)=CC=C1
Synonym	2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h
IUPAC Name	methyl 2-bromo-3-methylbenzoate
InChI Key	QAOFGUXVDAZKBW-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

2,817

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4-(Trifluoromethyl)mandelic acid, 98%

CAS: 395-35-7 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.147 MDL Number: MFCD00009724 InChI Key: SDGXYUQKJPFLDG-UHFFFAOYSA-N Synonym: 4-trifluoromethyl mandelic acid,2-hydroxy-2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylmandelic acid,hydroxy 4-trifluoromethyl phenyl acetic acid,4-trifluoromethyl phenylglycolic acid,2-4-trifluoromethyl phenyl-2-hydroxyacetic acid,p-trifluoromethylmandelic acid PubChem CID: 164593 IUPAC Name: 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1C(C(=O)O)O)C(F)(F)F

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Specifications

PubChem CID	164593
CAS	395-35-7
Molecular Weight (g/mol)	220.147
MDL Number	MFCD00009724
SMILES	C1=CC(=CC=C1C(C(=O)O)O)C(F)(F)F
Synonym	4-trifluoromethyl mandelic acid,2-hydroxy-2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylmandelic acid,hydroxy 4-trifluoromethyl phenyl acetic acid,4-trifluoromethyl phenylglycolic acid,2-4-trifluoromethyl phenyl-2-hydroxyacetic acid,p-trifluoromethylmandelic acid
IUPAC Name	2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid
InChI Key	SDGXYUQKJPFLDG-UHFFFAOYSA-N
Molecular Formula	C9H7F3O3

2,818

1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 97%, Thermo Scientific™

CAS: 280560-78-3 Molecular Formula: C13H19BrN2 Molecular Weight (g/mol): 283.213 MDL Number: MFCD00810550 InChI Key: WQUWRVLHCKJAMG-UHFFFAOYSA-N Synonym: 1-4-bromobenzyl-4-methylperhydro-1,4-diazepine,1-4-bromophenyl methyl-4-methyl-1,4-diazepane,1-4-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5258520,1h-1,4-diazepine,1-4-bromophenyl methyl hexahydro-4-methyl PubChem CID: 763047 IUPAC Name: 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane SMILES: CN1CCCN(CC1)CC2=CC=C(C=C2)Br

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Specifications

PubChem CID	763047
CAS	280560-78-3
Molecular Weight (g/mol)	283.213
MDL Number	MFCD00810550
SMILES	CN1CCCN(CC1)CC2=CC=C(C=C2)Br
Synonym	1-4-bromobenzyl-4-methylperhydro-1,4-diazepine,1-4-bromophenyl methyl-4-methyl-1,4-diazepane,1-4-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5258520,1h-1,4-diazepine,1-4-bromophenyl methyl hexahydro-4-methyl
IUPAC Name	1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane
InChI Key	WQUWRVLHCKJAMG-UHFFFAOYSA-N
Molecular Formula	C13H19BrN2

2,819

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2,5-Difluorophenyl isocyanate, 98%

CAS: 39718-32-6 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00013843 InChI Key: SNHIIFOXCRYGGY-UHFFFAOYSA-N PubChem CID: 2733266 IUPAC Name: 1,4-difluoro-2-isocyanatobenzene SMILES: C1=CC(=C(C=C1F)N=C=O)F

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Specifications

PubChem CID	2733266
CAS	39718-32-6
Molecular Weight (g/mol)	155.104
MDL Number	MFCD00013843
SMILES	C1=CC(=C(C=C1F)N=C=O)F
IUPAC Name	1,4-difluoro-2-isocyanatobenzene
InChI Key	SNHIIFOXCRYGGY-UHFFFAOYSA-N
Molecular Formula	C7H3F2NO

2,820

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3,4-Dimethoxybenzyl alcohol, 96%

CAS: 93-03-8 Molecular Formula: C₉H₁₂O₃ Molecular Weight (g/mol): 168.19 InChI Key: OEGPRYNGFWGMMV-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol PubChem CID: 7118 ChEBI: CHEBI:62150 IUPAC Name: (3,4-dimethoxyphenyl)methanol SMILES: COC1=C(C=C(C=C1)CO)OC

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Specifications

PubChem CID	7118
CAS	93-03-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:62150
SMILES	COC1=C(C=C(C=C1)CO)OC
Synonym	3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol
IUPAC Name	(3,4-dimethoxyphenyl)methanol
InChI Key	OEGPRYNGFWGMMV-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂O₃

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