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2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile

2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile structure

CAS No:
93413-76-4
Formula:
C15H19NO2
Chemical Name:
2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile
Synonyms:
alpha-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile;1-(Hydroxycyclohexyl)-(4-Methoxyphenly)Acetonitrlle;1-[(1-CYANO)-1-(4-METHOXYPHENYL)METHYL]CYCLODEXANOL;1-[Cyno-(4-Methoxyphenyl)Methyl]Cyclohexanol(Vf1);1-HydroxyCyclohexyl-4-MethoxyPhenylAcetonitrile(ForVenlafaxineHcl);forVenlafaxine;1-(cyclohexanol)-(4methoxyphenyl)acetonitrile;Intermediate of Venlafaxine
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Powder

2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Basic Attributes

Molecular Weight：

245.32

Exact Mass：

245.32

EC Number：

618-945-8

Color/Form：

White to Almost white

HScode：

2926.90.4850

Characteristics

PSA：

53.25000

XLogP3：

2.99758

Appearance：

Colorless and transparent liquid

Density：

1.142±0.06 g/cm3(Predicted)

Melting Point：

121-123°C

Boiling Point：

410.1±25.0 °C(Predicted)

Flash Point：

201.849ºC

Refractive Index：

1.561

PKA：

13.80±0.20(Predicted)

Critical Temperature & Pressure：

Sealed in dry,2-8°C

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Use and Manufacturing

An intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine

Computed Properties

Molecular Weight:245.32
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.141578849
Monoisotopic Mass:245.141578849
Topological Polar Surface Area:53.2
Heavy Atom Count:18
Complexity:306
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol

CAS No.: 93413-76-4

Content: 99.00%

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Abinopharm, Inc. Contact Supplier

US
6 YRS

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1-[Cyano-(4-Methoxyphenyl)Meth;4-Methoxy benzyl cyano cyclohexanol

CAS No.: 93413-76-4

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Guide of 2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile

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