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2-Methyl-2-nitro-1,3-propanediol

2-Methyl-2-nitro-1,3-propanediol structure

CAS No:
77-49-6
Formula:
C4H9NO4
Chemical Name:
2-Methyl-2-nitro-1,3-propanediol
Synonyms:
1,3-Propanediol,2-methyl-2-nitro-;2-Methyl-2-nitro-1,3-propanediol;1,1-Dimethylol-1-nitroethane;2-Nitro-2-methyl-1,3-propanediol;NMPD;Nitroisobutylglycol;NSC 5372
Categories:
Chemical Reagents > Organic Reagents

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Description

white to yellowish crystals

2-Methyl-2-nitro-1,3-propanediol Basic Attributes

Molecular Weight：

135.12

Exact Mass：

135.12

EC Number：

201-031-4

UNII：

31TD71126R

NSC Number：

5372

DSSTox ID：

DTXSID5041437

HScode：

29053995

Characteristics

PSA：

86.3

XLogP3：

0.14

Appearance：

white to yellowish crystals

Density：

1.3±0.1 g/cm3

Melting Point：

150.1 °C

Boiling Point：

324.2±32.0 °C at 760 mmHg

Flash Point：

153.3±13.6 °C

Refractive Index：

1.491

Water Solubility：

5.92 M

Safety Information

hazard class code：

36/37/38

safety instructions：

24/25

RTECS Number：

TY8925000

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methyl-2-nitro-1,3-propanediol Use and Manufacturing

Uses

Intermediate.

Manufacturing Info：

1,3-Propanediol, 2-methyl-2-nitro-: ACTIVE

Computed Properties

Molecular Weight:135.12
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:135.05315777
Monoisotopic Mass:135.05315777
Topological Polar Surface Area:86.3
Heavy Atom Count:9
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-2-nitro-1,3-propanediol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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2-Methyl-2-nitro-1,3-propanediol

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