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1-Nitrooctane

1-Nitrooctane structure

CAS No:
629-37-8
Formula:
C8H17NO2
Chemical Name:
1-Nitrooctane
Synonyms:
Octane,1-nitro-;1-Nitrooctane;NSC 3659;1-Nitro-n-octane

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1-Nitrooctane Basic Attributes

Molecular Weight：

159.229

Exact Mass：

159.23

NSC Number：

3659

DSSTox ID：

DTXSID50212075

Characteristics

PSA：

45.8

XLogP3：

3.8

Density：

0.9346

Melting Point：

15 °C

Boiling Point：

98-102 °C @ Press: 13 Torr

Safety Information

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, 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:159.23
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:159.125928785
Monoisotopic Mass:159.125928785
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:98.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Nitrooctane

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Nitrooctane

SDS

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