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4-Cyanopyridine

4-Cyanopyridine structure

CAS No:
100-48-1
Formula:
C6H4N2
Chemical Name:
4-Cyanopyridine
Synonyms:
4-Pyridinecarbonitrile;Isonicotinonitrile;4-Cyanopyridine;Isonicotinic acid nitrile;γ-Cyanopyridine;4-Pyridinenitrile;4-Azabenzonitrile;4-Pyridyl cyanide;4-Pyridylcarbonitrile;NSC 60681;4-Nitrilopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

beige solid The cyanopyridines are as follows: 2-cyano-:A white to tan liquid or solid. Almond odor. Boilingpoint=2213℃ ; freezing/melting point=27℃ ; flashpoint=89℃ . 3-cyano-: a colorless liquid or gray crystal-line solid.

OtherSolid

4-Cyanopyridine Basic Attributes

Molecular Weight：

104.11

Exact Mass：

104.11

BRN：

107712

EC Number：

202-856-2

UNII：

BY3226D010

NSC Number：

60681

DSSTox ID：

DTXSID9041528

HScode：

29333999

Characteristics

PSA：

36.7

XLogP3：

0.5

Appearance：

White to off-white Crystals or Powder

Density：

1.1145 (rough estimate)

Melting Point：

79 °C

Boiling Point：

213.5 °C

Flash Point：

88 °C

Refractive Index：

1.5242 (estimate)

Water Solubility：

H2O: 3.2 g/100ml (16.4 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.401mmHg at 25°C

Henrys Law Constant：

9.29e-07 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37-24/25

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong bases, strong oxidizing agents, strong acids.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P501

Hazard Statements：

H302+H312+H332 H302 + H312 + H332

GHS Classification：

|Warning|H302+H312+H332 (72.22%): 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, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 216 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-cyanopyridine

4-Cyanopyridine Use and Manufacturing

Uses

Medicine, pesticide, dye intermediate

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|4-Pyridinecarbonitrile: ACTIVE

Computed Properties

Molecular Weight:104.11
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Exact Mass:104.037448136
Monoisotopic Mass:104.037448136
Topological Polar Surface Area:36.7
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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