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1-Benzocyclobutenecarbonitrile

1-Benzocyclobutenecarbonitrile structure

CAS No:
6809-91-2
Formula:
C9H7N
Chemical Name:
1-Benzocyclobutenecarbonitrile
Synonyms:
1-cyanobenzocyclobutene;1-BENZOCYCLOBUTENECARBONITRILE;Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile;BICYCLO[4.2.0]OCTA-1(6),2,4-TRIENE-7-CARBONITRILE;1-CNBCB 1-Cyanobenzocyclobutene
Categories:
Specialty Chemicals

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1-Benzocyclobutenecarbonitrile Basic Attributes

Molecular Weight：

129.16

Exact Mass：

129.057846

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

1.37

Density：

1.1±0.1 g/cm3

Boiling Point：

88 °C1.3 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.588

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:129.16
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Exact Mass:129.057849228
Monoisotopic Mass:129.057849228
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:176
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Benzocyclobutenecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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