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Ethyl nitroacetate

Ethyl nitroacetate structure

CAS No:
626-35-7
Formula:
C4H7NO4
Chemical Name:
Ethyl nitroacetate
Synonyms:
Acetic acid,2-nitro-,ethyl ester;Acetic acid,nitro-,ethyl ester;Ethyl nitroacetate;Nitroacetic acid ethyl ester;NSC 42302;Ethyl 2-nitroacetate;2-Nitroacetic acid ethyl ester
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colourless to slightly yellow liquid

Ethyl nitroacetate Basic Attributes

Molecular Weight：

133.1

Exact Mass：

133.10

BRN：

1210027

EC Number：

210-944-7

NSC Number：

42302

DSSTox ID：

DTXSID9060817

HScode：

29159080

Characteristics

PSA：

72.1

XLogP3：

0.5

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.2115 g/cm³ @ Temp: 13.1 °C

Boiling Point：

94 °C @ Press: 11 Torr

Flash Point：

198 °F

Refractive Index：

1.426

Water Solubility：

Slightly soluble in water. soluble in chloroform and ethyl acetate.

Storage Conditions：

Keep Cold

Safety Information

Hazard category：

IRRITANT, KEEP COLD

wgk germany：

hazard class code：

safety instructions：

23-24/25-37

RTECS Number：

AJ1074000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

nitroacetic acid ethyl ester

Ethyl nitroacetate Use and Manufacturing

Uses

Ethyl Nitroacetate is an ester of nitrocarboxylic acid used as an intermediate in the preparation of unsubstituted amino acids.

Manufacturing Info：

Acetic acid, 2-nitro-, ethyl ester: INACTIVE

Computed Properties

Molecular Weight:133.10
XLogP3:0.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:133.03750770
Monoisotopic Mass:133.03750770
Topological Polar Surface Area:72.1
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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