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3-(Phenylmethoxy)benzeneacetonitrile

3-(Phenylmethoxy)benzeneacetonitrile structure

CAS No:
20967-96-8
Formula:
C15H13NO
Chemical Name:
3-(Phenylmethoxy)benzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3-(phenylmethoxy)-;Acetonitrile,[m-(benzyloxy)phenyl]-;3-(Phenylmethoxy)benzeneacetonitrile;[m-(Benzyloxy)phenyl]acetonitrile;[3-(Benzyloxy)phenyl]acetonitrile;3′-Benzyloxyphenylacetonitrile;2-[3-(Benzyloxy)phenyl]acetonitrile;2-(3-Phenylmethoxyphenyl)acetonitrile

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Description

Orange Solid

3-(Phenylmethoxy)benzeneacetonitrile Basic Attributes

Molecular Weight：

223.27

Exact Mass：

223.27

BRN：

2585802

EC Number：

-0

DSSTox ID：

DTXSID60334156

HScode：

2926909090

Characteristics

PSA：

XLogP3：

3.33168

Density：

1.114g/cm3

Melting Point：

48-49°C

Boiling Point：

162-166 °C @ Press: 0.55 Torr

Flash Point：

188-190°C/3mm

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

22-36/37/38

safety instructions：

36/37-36-26

Marks：

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, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302+H312+H332 (14.29%): 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, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:223.27
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:223.099714038
Monoisotopic Mass:223.099714038
Topological Polar Surface Area:33
Heavy Atom Count:17
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Phenylmethoxy)benzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(Phenylmethoxy)benzeneacetonitrile

SDS

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