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3-Cyanobenzaldehyde

3-Cyanobenzaldehyde structure

CAS No:
24964-64-5
Formula:
C8H5NO
Chemical Name:
3-Cyanobenzaldehyde
Synonyms:
Benzonitrile,3-formyl-;Isophthalaldehydonitrile;Benzaldehyde,m-cyano-;3-Formylbenzonitrile;3-Cyanobenzaldehyde;m-Cyanobenzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow cryst. powder or chunks

3-Cyanobenzaldehyde Basic Attributes

Molecular Weight：

131.13

Exact Mass：

131.13

EC Number：

246-549-1

DSSTox ID：

DTXSID30179677

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.2

Appearance：

White to light yellow powder.

Density：

1.2±0.1 g/cm3

Melting Point：

76.5 °C

Boiling Point：

210 °C

Flash Point：

81.3±19.8 °C

Refractive Index：

1.552

Water Solubility：

insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.189mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36-S36/37/39-S22

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (17.39%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:131.13
XLogP3:1.2
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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