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2-Bromo-2-nitropropane

2-Bromo-2-nitropropane structure

CAS No:
5447-97-2
Formula:
C3H6BrNO2
Chemical Name:
2-Bromo-2-nitropropane
Synonyms:
Propane,2-bromo-2-nitro-;2-Bromo-2-nitropropane;NSC 17672
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to pale yellow liquid

2-Bromo-2-nitropropane Basic Attributes

Molecular Weight：

167.99

Exact Mass：

167.99

BRN：

1746626

EC Number：

226-668-5

NSC Number：

17672

DSSTox ID：

DTXSID10202876

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

1.91730

Appearance：

light yellow clear liquid

Density：

1.582 g/mL at 25 °C(lit.)

Melting Point：

33-35 °C

Boiling Point：

153 °C

Flash Point：

142 °F

Refractive Index：

n20/D 1.464(lit.)

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (90.48%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.99
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:166.95819
Monoisotopic Mass:166.95819
Topological Polar Surface Area:45.8
Heavy Atom Count:7
Complexity:85.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes