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1-Nitropentane

1-Nitropentane structure

CAS No:
628-05-7
Formula:
C5H11NO2
Chemical Name:
1-Nitropentane
Synonyms:
Pentane,1-nitro-;1-Nitropentane;NSC 3645

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1-Nitropentane Basic Attributes

Molecular Weight：

117.148

Exact Mass：

117.15

EC Number：

211-025-3

UNII：

AU9UDR808R

NSC Number：

3645

DSSTox ID：

DTXSID20211878

HScode：

2904209090

Characteristics

PSA：

45.8

XLogP3：

1.97650

Density：

0.8817 g/cm³ @ Temp: 19.5 °C

Melting Point：

24.33°C (estimate)

Boiling Point：

172.5 °C

Flash Point：

59ºC

Refractive Index：

n20/D 1.417(lit.)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:117.15
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:45.8
Heavy Atom Count:8
Complexity:67.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Nitropentane

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Nitropentane

SDS

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