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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3,526 – 3,540 of 64,662 results

3,526

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1-Phenyl-2-propyn-1-one, 97%

CAS: 3623-15-2 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.15 MDL Number: MFCD06661646 InChI Key: JITPLZPWKYUTDM-UHFFFAOYSA-N Synonym: 1-phenyl-2-propyn-1-one,propiolophenone,benzoylacetylene,propynophenone,propioloylbenzene,ethyne, benzoyl,ethynyl phenyl ketone,phenyl ethynyl ketone,3-oxo-3-phenylpropyne,2-propyn-1-one, 1-phenyl PubChem CID: 77179 IUPAC Name: 1-phenylprop-2-yn-1-one SMILES: O=C(C#C)C1=CC=CC=C1

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Specifications

PubChem CID	77179
CAS	3623-15-2
Molecular Weight (g/mol)	130.15
MDL Number	MFCD06661646
SMILES	O=C(C#C)C1=CC=CC=C1
Synonym	1-phenyl-2-propyn-1-one,propiolophenone,benzoylacetylene,propynophenone,propioloylbenzene,ethyne, benzoyl,ethynyl phenyl ketone,phenyl ethynyl ketone,3-oxo-3-phenylpropyne,2-propyn-1-one, 1-phenyl
IUPAC Name	1-phenylprop-2-yn-1-one
InChI Key	JITPLZPWKYUTDM-UHFFFAOYSA-N
Molecular Formula	C9H6O

3,527

N-Methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzylamine, 97%, Thermo Scientific™

CAS: 898598-62-4 Molecular Formula: C13H14F3N3 Molecular Weight (g/mol): 269.271 MDL Number: MFCD09817515 InChI Key: OTPQTKMWNNGSEX-UHFFFAOYSA-N Synonym: n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzylamine,methyl 2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methyl amine,n-methyl-1-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl-3-pyrazolyl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanamine,benzenemethanamine,n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl PubChem CID: 24229664 IUPAC Name: N-methyl-1-[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanamine SMILES: CNCC1=CC=CC=C1C2=CC(=NN2C)C(F)(F)F

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Specifications

PubChem CID	24229664
CAS	898598-62-4
Molecular Weight (g/mol)	269.271
MDL Number	MFCD09817515
SMILES	CNCC1=CC=CC=C1C2=CC(=NN2C)C(F)(F)F
Synonym	n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzylamine,methyl 2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methyl amine,n-methyl-1-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl-3-pyrazolyl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanamine,benzenemethanamine,n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl
IUPAC Name	N-methyl-1-[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanamine
InChI Key	OTPQTKMWNNGSEX-UHFFFAOYSA-N
Molecular Formula	C13H14F3N3

3,528

4,6-Dimethyl-2-nitroaniline, 97%

CAS: 1635-84-3 Molecular Formula: C₈H₁₀N₂O₂ Molecular Weight (g/mol): 166.18 InChI Key: VSRYYONYIUUFFY-UHFFFAOYSA-N Synonym: 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline PubChem CID: 74219 IUPAC Name: 2,4-dimethyl-6-nitroaniline SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C

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Specifications

PubChem CID	74219
CAS	1635-84-3
Molecular Weight (g/mol)	166.18
SMILES	CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C
Synonym	4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline
IUPAC Name	2,4-dimethyl-6-nitroaniline
InChI Key	VSRYYONYIUUFFY-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀N₂O₂

3,529

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Methyl 3-amino-4-iodobenzoate, 97%

CAS: 412947-54-7 Molecular Formula: C8H8INO2 Molecular Weight (g/mol): 277.061 MDL Number: MFCD08064225 InChI Key: WJEBNIVVLJEIKE-UHFFFAOYSA-N Synonym: 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester PubChem CID: 21628210 IUPAC Name: methyl 3-amino-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)N

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Specifications

PubChem CID	21628210
CAS	412947-54-7
Molecular Weight (g/mol)	277.061
MDL Number	MFCD08064225
SMILES	COC(=O)C1=CC(=C(C=C1)I)N
Synonym	3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester
IUPAC Name	methyl 3-amino-4-iodobenzoate
InChI Key	WJEBNIVVLJEIKE-UHFFFAOYSA-N
Molecular Formula	C8H8INO2

3,530

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4-Fluorosalicylic acid, 98%

CAS: 345-29-9 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD00153168 InChI Key: TTZOLDXHOCCNMF-UHFFFAOYSA-N Synonym: 4-fluorosalicylic acid,4-fluorosalicyclic acid,2-hydroxy-4-fluorobenzoic acid,4-fluoro-2-hydroxy-benzoic acid,fluorohydroxybenzoicacid5,benzoic acid, 4-fluoro-2-hydroxy,4-fluorosalicylicacid,zlchem 109,pubchem3493 PubChem CID: 67661 IUPAC Name: 4-fluoro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(F)C=C1O

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Specifications

PubChem CID	67661
CAS	345-29-9
Molecular Weight (g/mol)	156.11
MDL Number	MFCD00153168
SMILES	OC(=O)C1=CC=C(F)C=C1O
Synonym	4-fluorosalicylic acid,4-fluorosalicyclic acid,2-hydroxy-4-fluorobenzoic acid,4-fluoro-2-hydroxy-benzoic acid,fluorohydroxybenzoicacid5,benzoic acid, 4-fluoro-2-hydroxy,4-fluorosalicylicacid,zlchem 109,pubchem3493
IUPAC Name	4-fluoro-2-hydroxybenzoic acid
InChI Key	TTZOLDXHOCCNMF-UHFFFAOYSA-N
Molecular Formula	C7H5FO3

3,531

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1,2-Bis(phenylsulfonyl)ethane, 98+%

CAS: 599-94-0 Molecular Formula: C14H14O4S2 Molecular Weight (g/mol): 310.38 MDL Number: MFCD00041256 InChI Key: ULELOBVZIKJPAC-UHFFFAOYSA-N Synonym: 1,2-bis phenylsulfonyl ethane,1,2-bis phenylsulphonyl ethane,1,1'-ethane-1,2-diylbis sulphonyl bisbenzene,2-benzenesulfonyl ethylsulfonylbenzene,ethylenebisphenyl sulfone,2-phenylsulfonyl ethyl sulfonyl benzene,2-benzenesulfonyl ethanesulfonyl benzene,1,1'-ethane-1,2-diyldisulfonyl dibenzene,ethylene diphenylsulfone,acmc-1apw3 PubChem CID: 69036 IUPAC Name: 2-(benzenesulfonyl)ethylsulfonylbenzene SMILES: O=S(=O)(CCS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	69036
CAS	599-94-0
Molecular Weight (g/mol)	310.38
MDL Number	MFCD00041256
SMILES	O=S(=O)(CCS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	1,2-bis phenylsulfonyl ethane,1,2-bis phenylsulphonyl ethane,1,1'-ethane-1,2-diylbis sulphonyl bisbenzene,2-benzenesulfonyl ethylsulfonylbenzene,ethylenebisphenyl sulfone,2-phenylsulfonyl ethyl sulfonyl benzene,2-benzenesulfonyl ethanesulfonyl benzene,1,1'-ethane-1,2-diyldisulfonyl dibenzene,ethylene diphenylsulfone,acmc-1apw3
IUPAC Name	2-(benzenesulfonyl)ethylsulfonylbenzene
InChI Key	ULELOBVZIKJPAC-UHFFFAOYSA-N
Molecular Formula	C14H14O4S2

3,532

1-Eth-1-ynyl-4-propylbenzene, 97%, Thermo Scientific™

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

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Specifications

PubChem CID	2775133
CAS	62452-73-7
Molecular Weight (g/mol)	144.217
MDL Number	MFCD00173886
SMILES	CCCC1=CC=C(C=C1)C#C
Synonym	4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name	1-ethynyl-4-propylbenzene
InChI Key	UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula	C11H12

3,533

1,2-dichloro-4-iodobenzene, Thermo Scientific™

CAS: 20555-91-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 InChI Key: NADPFZNWCQIJJW-UHFFFAOYSA-N Synonym: 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene PubChem CID: 88591 IUPAC Name: 1,2-dichloro-4-iodobenzene SMILES: C1=CC(=C(C=C1I)Cl)Cl

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Specifications

PubChem CID	88591
CAS	20555-91-3
Molecular Weight (g/mol)	272.894
SMILES	C1=CC(=C(C=C1I)Cl)Cl
Synonym	3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene
IUPAC Name	1,2-dichloro-4-iodobenzene
InChI Key	NADPFZNWCQIJJW-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2I

3,534

2-Fluoro-4-nitrobenzoic acid, 95+%, Thermo Scientific™

CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

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Specifications

PubChem CID	302679
CAS	403-24-7
Molecular Weight (g/mol)	185.11
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym	2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
InChI Key	MMWFMFZFCKADEL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

3,535

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2-Bromo-4-fluorobenzylamine hydrochloride, 96%

CAS: 289038-14-8 Molecular Formula: C7H8BrClFN Molecular Weight (g/mol): 240.5 MDL Number: MFCD00672922 InChI Key: PBCSNHSXUSMNOV-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorobenzylamine hydrochloride,2-bromo-4-fluorophenyl methanamine hydrochloride,1-2-bromo-4-fluorophenyl methanamine hydrochloride,2-bromanyl-4-fluoranyl-phenyl methanamine hydrochloride PubChem CID: 2773353 IUPAC Name: (2-bromo-4-fluorophenyl)methanamine;hydrochloride SMILES: C1=CC(=C(C=C1F)Br)CN.Cl

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Specifications

PubChem CID	2773353
CAS	289038-14-8
Molecular Weight (g/mol)	240.5
MDL Number	MFCD00672922
SMILES	C1=CC(=C(C=C1F)Br)CN.Cl
Synonym	2-bromo-4-fluorobenzylamine hydrochloride,2-bromo-4-fluorophenyl methanamine hydrochloride,1-2-bromo-4-fluorophenyl methanamine hydrochloride,2-bromanyl-4-fluoranyl-phenyl methanamine hydrochloride
IUPAC Name	(2-bromo-4-fluorophenyl)methanamine;hydrochloride
InChI Key	PBCSNHSXUSMNOV-UHFFFAOYSA-N
Molecular Formula	C7H8BrClFN

3,536

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Methyl 3-bromo-2-fluorobenzoate, 98%, Thermo Scientific Chemicals

CAS: 206551-41-9 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD09261255 InChI Key: ZWOFHFOFKBYRHV-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-2-fluoro-, methyl ester,pubchem21940,acmc-209fct,methyl bromofluorobenzoate,methyl3-bromo-2-fluorobenzoate,3-bromo-2-fluoro-benzoic acid methyl ester PubChem CID: 21584505 IUPAC Name: methyl 3-bromo-2-fluorobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)Br)F

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Specifications

PubChem CID	21584505
CAS	206551-41-9
Molecular Weight (g/mol)	233.036
MDL Number	MFCD09261255
SMILES	COC(=O)C1=C(C(=CC=C1)Br)F
Synonym	3-bromo-2-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-2-fluoro-, methyl ester,pubchem21940,acmc-209fct,methyl bromofluorobenzoate,methyl3-bromo-2-fluorobenzoate,3-bromo-2-fluoro-benzoic acid methyl ester
IUPAC Name	methyl 3-bromo-2-fluorobenzoate
InChI Key	ZWOFHFOFKBYRHV-UHFFFAOYSA-N
Molecular Formula	C8H6BrFO2

3,537

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Bambuterol hydrochloride, Thermo Scientific Chemicals

CAS: 81732-46-9 Molecular Formula: C18H30ClN3O5 Molecular Weight (g/mol): 403.90 MDL Number: MFCD03427293 InChI Key: LBARATORRVNNQM-UHFFFAOYNA-N IUPAC Name: hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride SMILES: [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C

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Specifications

CAS	81732-46-9
Molecular Weight (g/mol)	403.90
MDL Number	MFCD03427293
SMILES	[H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
IUPAC Name	hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride
InChI Key	LBARATORRVNNQM-UHFFFAOYNA-N
Molecular Formula	C18H30ClN3O5

3,538

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N,N-Diethyl-3-methylbenzamide, 97%

CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C

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Specifications

PubChem CID	4284
CAS	134-62-3
Molecular Weight (g/mol)	191.274
ChEBI	CHEBI:7071
MDL Number	MFCD00009046
SMILES	CCN(CC)C(=O)C1=CC(=CC=C1)C
Synonym	deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan
IUPAC Name	N,N-diethyl-3-methylbenzamide
InChI Key	MMOXZBCLCQITDF-UHFFFAOYSA-N
Molecular Formula	C12H17NO

3,539

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(1-Pentyl)triphenylphosphonium bromide, 98%

CAS: 21406-61-1 Molecular Formula: C23H26BrP Molecular Weight (g/mol): 413.34 MDL Number: MFCD00031630 InChI Key: VAUKWMSXUKODHR-UHFFFAOYSA-M Synonym: pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 PubChem CID: 2724565 IUPAC Name: pentyl(triphenyl)phosphanium;bromide SMILES: [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724565
CAS	21406-61-1
Molecular Weight (g/mol)	413.34
MDL Number	MFCD00031630
SMILES	[Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722
IUPAC Name	pentyl(triphenyl)phosphanium;bromide
InChI Key	VAUKWMSXUKODHR-UHFFFAOYSA-M
Molecular Formula	C23H26BrP

3,540

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3-(Dimethylamino)benzyl alcohol, 95%

CAS: 23501-93-1 Molecular Formula: C₉H₁₃NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00017342 InChI Key: YTUXZVSDDHCTBZ-UHFFFAOYSA-N Synonym: 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino PubChem CID: 90133 IUPAC Name: [3-(dimethylamino)phenyl]methanol SMILES: CN(C)C1=CC=CC(=C1)CO

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Specifications

PubChem CID	90133
CAS	23501-93-1
Molecular Weight (g/mol)	151.21
MDL Number	MFCD00017342
SMILES	CN(C)C1=CC=CC(=C1)CO
Synonym	3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino
IUPAC Name	[3-(dimethylamino)phenyl]methanol
InChI Key	YTUXZVSDDHCTBZ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO

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