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Cyclopropanecarbonitrile

Cyclopropanecarbonitrile structure

CAS No:
5500-21-0
Formula:
C4H5N
Chemical Name:
Cyclopropanecarbonitrile
Synonyms:
Cyclopropanecarbonitrile;Cyclopropanenitrile;Cyclopropylnitrile;Cyanocyclopropane;Cyclopropyl cyanide;Cyclopropylcarbonitrile;NSC 60191;1800084-86-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to faintly yellow liquid

Cyclopropanecarbonitrile Basic Attributes

Molecular Weight：

67.091

Exact Mass：

67.09

EC Number：

226-836-8

NSC Number：

60191

DSSTox ID：

DTXSID1063936

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

-0.08

Appearance：

Clear colorless to faint yellow liquid.

Density：

0.89401 g/cm³ @ Temp: 20 °C

Melting Point：

-25ºC

Boiling Point：

135.1 °C

Flash Point：

32.8±0.0 °C

Refractive Index：

1.443

Water Solubility：

Miscible with water.

Storage Conditions：

Flammables area

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3275 6.1/PG 2

wgk germany：

hazard class code：

R10;R23/24/25

safety instructions：

S23-S26-S36/37-S45-S36/37/39-S16

Marks：

T:Toxic

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

Missing Phrase - N15.00950417-P210-P280-P302 + P352 + P312-P304 + P340 + P312-P370 + P378

Hazard Statements：

H226-H301 + H311 + H331

GHS Classification：

|Danger|H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cyclopropanecarbonitrile

Cyclopropanecarbonitrile Use and Manufacturing

Uses

Cyclopropanecarbonitrile is a cyano substituted cycloalkane. Cyclopropanecarbonitrile is an Impurity of pazufloxacin mesylate (P211000).

Manufacturing Info：

Cyclopropanecarbonitrile: ACTIVE

Computed Properties

Molecular Weight:67.09
XLogP3:0.3
Hydrogen Bond Acceptor Count:1
Exact Mass:67.042199164
Monoisotopic Mass:67.042199164
Topological Polar Surface Area:23.8
Heavy Atom Count:5
Complexity:72.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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