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Methyl 2-nitroacetate

Methyl 2-nitroacetate structure

CAS No:
2483-57-0
Formula:
C3H5NO4
Chemical Name:
Methyl 2-nitroacetate
Synonyms:
Acetic acid,2-nitro-,methyl ester;Acetic acid,nitro-,methyl ester;Methyl 2-nitroacetate;Methyl nitroacetate;Nitroacetic acid methyl ester;Methyl α-nitroacetate;NSC 16153
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

Methyl 2-nitroacetate Basic Attributes

Molecular Weight：

119.08

Exact Mass：

119.08

BRN：

1758670

EC Number：

219-622-0

NSC Number：

16153

DSSTox ID：

DTXSID10179539

HScode：

2915900090

Characteristics

PSA：

72.1

XLogP3：

0.1

Density：

1.3072 g/cm³ @ Temp: 20 °C

Boiling Point：

68 °C @ Press: 2.0 Torr

Flash Point：

221 °F

Refractive Index：

1.418

Water Solubility：

Miscible with ethanol, ether and most organic solvents.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

AJ1093000

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

Drug Information

MeSH Entry Terms：

nitroacetic acid methyl ester

Computed Properties

Molecular Weight:119.08
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:119.02185764
Monoisotopic Mass:119.02185764
Topological Polar Surface Area:72.1
Heavy Atom Count:8
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes