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Benzyl isocyanide

Benzyl isocyanide structure

CAS No:
10340-91-7
Formula:
C8H7N
Chemical Name:
Benzyl isocyanide
Synonyms:
Benzene,(isocyanomethyl)-;Benzyl isocyanide;(Isocyanomethyl)benzene;Benzyl isonitrile;2546342-30-5
Categories:
Pharmaceutical Intermediates > Oled Material Intermediate

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Description

clear colorless to yellowish liquid

Benzyl isocyanide Basic Attributes

Molecular Weight：

117.15

Exact Mass：

117.057846

EC Number：

233-738-9

UNII：

UEU57DSL26

DSSTox ID：

DTXSID50145819

HScode：

29269090

Characteristics

PSA：

4.4

XLogP3：

1.33660

Density：

0.962 g/mL at 25 °C(lit.)

Boiling Point：

95-97 °C @ Press: 13 Torr

Flash Point：

175 °F

Refractive Index：

n 20/D 1.521(lit.)

Storage Conditions：

-20°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzyl isocyanide Use and Manufacturing

Benzyl Isocyanide is used in the preparation of arylamide compounds. also used as a catalyst in the cycloaddition of norbornenes with internal and terminal acetylenes.

Computed Properties

Molecular Weight:117.15
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:117.057849228
Monoisotopic Mass:117.057849228
Topological Polar Surface Area:4.4
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Benzyl isocyanide

Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
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Benzyl isonitrile

CAS No.: 10340-91-7

Grade: pharmaceutical grade

Content: 98%

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