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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676 – 690 of 119,922 results

676

Centrophenoxine hydrochloride, 98%

CAS: 3685-84-5 Molecular Formula: C12H17Cl2NO3 Molecular Weight (g/mol): 294.17 MDL Number: MFCD00012533 InChI Key: FIVHOHCAXWQPGC-UHFFFAOYSA-N Synonym: meclofenoxate hydrochloride,centrophenoxine hydrochloride,lucidril,cerutil,meclofenoxate hcl,atsefen,helfergin,marucotol,acefen,brenal PubChem CID: 19379 IUPAC Name: hydrogen 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate chloride SMILES: [H+].[Cl-].CN(C)CCOC(=O)COC1=CC=C(Cl)C=C1

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Specifications

PubChem CID	19379
CAS	3685-84-5
Molecular Weight (g/mol)	294.17
MDL Number	MFCD00012533
SMILES	[H+].[Cl-].CN(C)CCOC(=O)COC1=CC=C(Cl)C=C1
Synonym	meclofenoxate hydrochloride,centrophenoxine hydrochloride,lucidril,cerutil,meclofenoxate hcl,atsefen,helfergin,marucotol,acefen,brenal
IUPAC Name	hydrogen 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate chloride
InChI Key	FIVHOHCAXWQPGC-UHFFFAOYSA-N
Molecular Formula	C12H17Cl2NO3

677

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2-Bromo-1,4-dimethoxybenzene, 98%

CAS: 25245-34-5 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD00008355 InChI Key: DWCGNRKFLRLWCJ-UHFFFAOYSA-N PubChem CID: 91353 IUPAC Name: 2-bromo-1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C(Br)=C1

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Specifications

PubChem CID	91353
CAS	25245-34-5
Molecular Weight (g/mol)	217.06
MDL Number	MFCD00008355
SMILES	COC1=CC=C(OC)C(Br)=C1
IUPAC Name	2-bromo-1,4-dimethoxybenzene
InChI Key	DWCGNRKFLRLWCJ-UHFFFAOYSA-N
Molecular Formula	C8H9BrO2

678

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4-Isopropylbenzenesulfonyl chloride, 96%

CAS: 54997-90-9 Molecular Formula: C9H11ClO2S Molecular Weight (g/mol): 218.70 MDL Number: MFCD00041510 InChI Key: CETRNHJIXGITKR-UHFFFAOYSA-N Synonym: 4-isopropylbenzenesulfonyl chloride,4-isopropylbenzene-1-sulfonyl chloride,4-isopropylbenzenesulfonylchloride,4-propan-2-yl benzene-1-sulfonyl chloride,4-isopropyl benzenesulfonyl chloride,4-isopropyl-benzenesulfonyl chloride,4-propan-2-yl benzenesulfonyl chloride,4-isopropylbenzensulfonylchloride,4-isopropylphenylsulfonyl chloride,p-isopropylbenzenesulfonyl chloride PubChem CID: 2734882 IUPAC Name: 4-propan-2-ylbenzenesulfonyl chloride SMILES: CC(C)C1=CC=C(C=C1)S(Cl)(=O)=O

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Specifications

PubChem CID	2734882
CAS	54997-90-9
Molecular Weight (g/mol)	218.70
MDL Number	MFCD00041510
SMILES	CC(C)C1=CC=C(C=C1)S(Cl)(=O)=O
Synonym	4-isopropylbenzenesulfonyl chloride,4-isopropylbenzene-1-sulfonyl chloride,4-isopropylbenzenesulfonylchloride,4-propan-2-yl benzene-1-sulfonyl chloride,4-isopropyl benzenesulfonyl chloride,4-isopropyl-benzenesulfonyl chloride,4-propan-2-yl benzenesulfonyl chloride,4-isopropylbenzensulfonylchloride,4-isopropylphenylsulfonyl chloride,p-isopropylbenzenesulfonyl chloride
IUPAC Name	4-propan-2-ylbenzenesulfonyl chloride
InChI Key	CETRNHJIXGITKR-UHFFFAOYSA-N
Molecular Formula	C9H11ClO2S

679

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2,5-Dimethylbenzylamine, 98%

CAS: 93-48-1 Molecular Formula: C₉H₁₃N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00039780 InChI Key: LUJNPFWZXIGIPS-UHFFFAOYSA-N PubChem CID: 66735 IUPAC Name: (2,5-dimethylphenyl)methanamine SMILES: CC1=CC(=C(C=C1)C)CN

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Specifications

PubChem CID	66735
CAS	93-48-1
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00039780
SMILES	CC1=CC(=C(C=C1)C)CN
IUPAC Name	(2,5-dimethylphenyl)methanamine
InChI Key	LUJNPFWZXIGIPS-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃N

680

4-(tert-Butyl)-2-chloroaniline, 95%, Thermo Scientific™

CAS: 42265-67-8 Molecular Formula: C10H14ClN Molecular Weight (g/mol): 183.68 MDL Number: MFCD00052272 InChI Key: MFEZEFHCSBXPPO-UHFFFAOYSA-N Synonym: 4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl PubChem CID: 521094 IUPAC Name: 4-tert-butyl-2-chloroaniline SMILES: CC(C)(C)C1=CC(Cl)=C(N)C=C1

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Specifications

PubChem CID	521094
CAS	42265-67-8
Molecular Weight (g/mol)	183.68
MDL Number	MFCD00052272
SMILES	CC(C)(C)C1=CC(Cl)=C(N)C=C1
Synonym	4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl
IUPAC Name	4-tert-butyl-2-chloroaniline
InChI Key	MFEZEFHCSBXPPO-UHFFFAOYSA-N
Molecular Formula	C10H14ClN

681

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2-Phenoxyethanol, 94%

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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Specifications

PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:64275
MDL Number	MFCD00002857
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

682

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6-Methoxysalicylic acid, 98%, Thermo Scientific™

CAS: 3147-64-6 Molecular Formula: C₈H₈O₄ Molecular Weight (g/mol): 168.15 InChI Key: AAUQLHHARJUJEH-UHFFFAOYSA-N Synonym: 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole PubChem CID: 591524 IUPAC Name: 2-hydroxy-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)O

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Specifications

PubChem CID	591524
CAS	3147-64-6
Molecular Weight (g/mol)	168.15
SMILES	COC1=CC=CC(=C1C(=O)O)O
Synonym	6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole
IUPAC Name	2-hydroxy-6-methoxybenzoic acid
InChI Key	AAUQLHHARJUJEH-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₄

683

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2-Bromo-4,5-difluorobenzaldehyde, 98%

CAS: 476620-54-9 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD16659662 InChI Key: ZHSZEWFWVDLMDL-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-4,5-difluoro,acmc-209ka1,2-bromo-4,5-difluoro-benzaldehyde PubChem CID: 21867425 IUPAC Name: 2-bromo-4,5-difluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)F)Br)C=O

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Specifications

PubChem CID	21867425
CAS	476620-54-9
Molecular Weight (g/mol)	221.001
MDL Number	MFCD16659662
SMILES	C1=C(C(=CC(=C1F)F)Br)C=O
Synonym	benzaldehyde, 2-bromo-4,5-difluoro,acmc-209ka1,2-bromo-4,5-difluoro-benzaldehyde
IUPAC Name	2-bromo-4,5-difluorobenzaldehyde
InChI Key	ZHSZEWFWVDLMDL-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O

684

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5-Bromo-2-fluorobenzylamine hydrochloride, 97%

CAS: 202865-69-8 Molecular Formula: C7H8BrFN Molecular Weight (g/mol): 205.05 MDL Number: MFCD00143426 InChI Key: PDKBJZGGXHTHNC-UHFFFAOYSA-O Synonym: 5-bromo-2-fluorobenzylamine hydrochloride,5-bromo-2-fluorophenyl methanamine hydrochloride,5-bromo-2-fluorobenzylamine hcl,5-bromo-2-fluorophenyl methanamine hcl,1-5-bromo-2-fluorophenyl methanamine hydrochloride,pubchem3227,acmc-1cpb5,rarechem al bd 0325,akos bbv-005136,5-bromo-2-fluorobenzyl amine hcl PubChem CID: 2724903 SMILES: [NH3+]CC1=CC(Br)=CC=C1F

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Specifications

PubChem CID	2724903
CAS	202865-69-8
Molecular Weight (g/mol)	205.05
MDL Number	MFCD00143426
SMILES	[NH3+]CC1=CC(Br)=CC=C1F
Synonym	5-bromo-2-fluorobenzylamine hydrochloride,5-bromo-2-fluorophenyl methanamine hydrochloride,5-bromo-2-fluorobenzylamine hcl,5-bromo-2-fluorophenyl methanamine hcl,1-5-bromo-2-fluorophenyl methanamine hydrochloride,pubchem3227,acmc-1cpb5,rarechem al bd 0325,akos bbv-005136,5-bromo-2-fluorobenzyl amine hcl
InChI Key	PDKBJZGGXHTHNC-UHFFFAOYSA-O
Molecular Formula	C7H8BrFN

685

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4,4'-Methylenebis(N,N-dimethylaniline), 98+%

CAS: 101-61-1 Molecular Formula: C17H22N2 Molecular Weight (g/mol): 254.377 MDL Number: MFCD00008317 InChI Key: JNRLEMMIVRBKJE-UHFFFAOYSA-N Synonym: 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone PubChem CID: 7567 ChEBI: CHEBI:34370 IUPAC Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C

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Specifications

PubChem CID	7567
CAS	101-61-1
Molecular Weight (g/mol)	254.377
ChEBI	CHEBI:34370
MDL Number	MFCD00008317
SMILES	CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
Synonym	4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone
IUPAC Name	4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
InChI Key	JNRLEMMIVRBKJE-UHFFFAOYSA-N
Molecular Formula	C17H22N2

686

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2,4-Difluorobenzonitrile, 98%

CAS: 3939-09-1 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00009826 InChI Key: LJFDXXUKKMEQKE-UHFFFAOYSA-N Synonym: 2,4-difluorobenzenecarbonitrile,benzonitrile, 2,4-difluoro,2,4-difluoro-benzonitrile,pubchem1563,acmc-1bohp,2.4-difluoro benzonitrile,2,4-difluoro benzonitrile,ksc493m5d,2,4-difluorobenzonitrile,ljfdxxukkmeqke-uhfffaoysa PubChem CID: 77545 IUPAC Name: 2,4-difluorobenzonitrile SMILES: C1=CC(=C(C=C1F)F)C#N

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Specifications

PubChem CID	77545
CAS	3939-09-1
Molecular Weight (g/mol)	139.11
MDL Number	MFCD00009826
SMILES	C1=CC(=C(C=C1F)F)C#N
Synonym	2,4-difluorobenzenecarbonitrile,benzonitrile, 2,4-difluoro,2,4-difluoro-benzonitrile,pubchem1563,acmc-1bohp,2.4-difluoro benzonitrile,2,4-difluoro benzonitrile,ksc493m5d,2,4-difluorobenzonitrile,ljfdxxukkmeqke-uhfffaoysa
IUPAC Name	2,4-difluorobenzonitrile
InChI Key	LJFDXXUKKMEQKE-UHFFFAOYSA-N
Molecular Formula	C7H3F2N

687

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(+/-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl, 98%

CAS: 153305-67-0 Molecular Formula: C48H40P2 Molecular Weight (g/mol): 678.796 MDL Number: MFCD01311709 InChI Key: IOPQYDKQISFMJI-UHFFFAOYSA-N Synonym: r-tol-binap,s-tol-binap,s---2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-t-binap,rac-tol-binap,r-+-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,tol-binap,s-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-p-tol-binap PubChem CID: 4189906 IUPAC Name: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane SMILES: CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C

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Specifications

PubChem CID	4189906
CAS	153305-67-0
Molecular Weight (g/mol)	678.796
MDL Number	MFCD01311709
SMILES	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
Synonym	r-tol-binap,s-tol-binap,s---2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-t-binap,rac-tol-binap,r-+-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,tol-binap,s-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-p-tol-binap
IUPAC Name	[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane
InChI Key	IOPQYDKQISFMJI-UHFFFAOYSA-N
Molecular Formula	C48H40P2

688

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4-(Chloromethyl)-1,2-diphenylethane, 98%

CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	2733990
CAS	80676-35-3
Molecular Weight (g/mol)	230.74
MDL Number	MFCD02093918
SMILES	ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
Synonym	4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride
IUPAC Name	1-(chloromethyl)-4-(2-phenylethyl)benzene
InChI Key	KPTSLALCCGBCOB-UHFFFAOYSA-N
Molecular Formula	C15H15Cl

689

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3,5-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF

CAS: 1417985-27-3 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.323 MDL Number: MFCD11113509 InChI Key: QAXANYLHEOPEGM-UHFFFAOYSA-M Synonym: 3,5-difluorobenzylmagnesium bromide, 0.25m in 2-methf,qpuypkpzikvhdr-uhfffaoysa-m,3,5-difluorobenzylmagnesium bromide,3,5-difluorobenzyl magnesium bromide,grignard reagent PubChem CID: 73995805 SMILES: [CH2-]C1=CC(=CC(=C1)F)F.[Mg+2].[Br-]

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Specifications

PubChem CID	73995805
CAS	1417985-27-3
Molecular Weight (g/mol)	231.323
MDL Number	MFCD11113509
SMILES	[CH2-]C1=CC(=CC(=C1)F)F.[Mg+2].[Br-]
Synonym	3,5-difluorobenzylmagnesium bromide, 0.25m in 2-methf,qpuypkpzikvhdr-uhfffaoysa-m,3,5-difluorobenzylmagnesium bromide,3,5-difluorobenzyl magnesium bromide,grignard reagent
InChI Key	QAXANYLHEOPEGM-UHFFFAOYSA-M
Molecular Formula	C7H5BrF2Mg

690

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BHT, Granular, FCC, 99%, Spectrum™ Chemical

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N IUPAC Name: 2,6-di-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

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Specifications

CAS	128-37-0
Molecular Weight (g/mol)	220.36
SMILES	CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name	2,6-di-tert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C15H24O

Benzene and substituted derivatives

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