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3-Nitro-2-butanol

3-Nitro-2-butanol structure

CAS No:
6270-16-2
Formula:
C4H9NO3
Chemical Name:
3-Nitro-2-butanol
Synonyms:
2-Butanol,3-nitro-;3-Nitro-2-butanol;2-Nitrobutan-3-ol;NSC 17679;NSC 33811;2-Nitro-1-methylpropanol
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colourless to light yellow liquid

3-Nitro-2-butanol Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.12

EC Number：

228-447-9

NSC Number：

33811|17679

Characteristics

PSA：

XLogP3：

0.55560

Density：

1.1296 g/cm³ @ Temp: 25 °C

Melting Point：

21.25°C (estimate)

Boiling Point：

92 °C

Flash Point：

196 °F

Refractive Index：

n20/D 1.441(lit.)

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

EL5900000

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:119.12
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:119.058243149
Monoisotopic Mass:119.058243149
Topological Polar Surface Area:66
Heavy Atom Count:8
Complexity:87.8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes