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Nitrocyclopentane

Nitrocyclopentane structure

CAS No:
2562-38-1
Formula:
C5H9NO2
Chemical Name:
Nitrocyclopentane
Synonyms:
Cyclopentane,nitro-;Nitrocyclopentane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear pale yellow liquid

Nitrocyclopentane Basic Attributes

Molecular Weight：

115.13

Exact Mass：

115.13

BRN：

907079

EC Number：

219-884-6

DSSTox ID：

DTXSID00180295

HScode：

29042000

Characteristics

PSA：

45.8

XLogP3：

1.72890

Density：

1.086 g/cm³ @ Temp: 25 °C

Melting Point：

143-144 °C

Boiling Point：

76 °C @ Press: 21 Torr

Flash Point：

153 °F

Refractive Index：

n20/D 1.454(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

GY4657500

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (11.63%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:115.13
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:115.063328530
Monoisotopic Mass:115.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:8
Complexity:91.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes