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2-Cyanobenzaldehyde

2-Cyanobenzaldehyde structure

CAS No:
7468-67-9
Formula:
C8H5NO
Chemical Name:
2-Cyanobenzaldehyde
Synonyms:
2-Cyanobenaldehyde;2-CYANOBENZALDEHYDE;O-CYANOBENZALDEHYDE;2-FORMYLBENZONITRILE;Phthalaldehydonitrile;2-Cyanobenzaldehyde,98%;Benzonitrile, 2-formyl-;2-methanoylbenzonitrile;2-Cyanobenzaldehyde 98%;2-Cyanobenzaldehyde, 98% 5GR
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to orange to beige powder, crystals and/or

2-Cyanobenzaldehyde Basic Attributes

Molecular Weight：

131.134

Exact Mass：

131.037109

NSC Number：

400131

DSSTox ID：

DTXSID80225653

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.1

Density：

1.2±0.1 g/cm3

Melting Point：

103-105 °C(lit.)

Flash Point：

126.1±22.6 °C

Refractive Index：

1.552

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439 6.1/PG 3

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37/39-S36/37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.78%): 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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Cyanobenzaldehyde Use and Manufacturing

This compound can act as a crosslinker to protein kinase, which is responsible for thousands of phosphorylation events in the phosphoproteome.

Computed Properties

Molecular Weight:131.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:131.037113783
Monoisotopic Mass:131.037113783
Topological Polar Surface Area:40.9
Heavy Atom Count:10
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 7468-67-9

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