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Ethyl isocyanatoacetate

Ethyl isocyanatoacetate structure

CAS No:
2949-22-6
Formula:
C5H7NO3
Chemical Name:
Ethyl isocyanatoacetate
Synonyms:
Acetic acid,2-isocyanato-,ethyl ester;Acetic acid,isocyanato-,ethyl ester;Ethyl isocyanatoacetate;Isocyanatoacetic acid ethyl ester;Ethoxycarbonylmethyl isocyanate;Carbethoxymethyl isocyanate;NSC 56429;NSC 6276;Glycine ethyl ester isocyanate;1025436-14-9
Categories:
Organic Chemistry > Coordination Complexes

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Description

Clear colorless liquid

Ethyl isocyanatoacetate Basic Attributes

Molecular Weight：

129.114

Exact Mass：

129.11

EC Number：

220-967-4

NSC Number：

56429|6276

DSSTox ID：

DTXSID3062738

HScode：

2929109000

Characteristics

PSA：

55.73000

XLogP3：

1.46

Density：

1.1±0.1 g/cm3

Boiling Point：

66-67 °C

Flash Point：

72.8±0.0 °C

Refractive Index：

1.449

Water Solubility：

Reacts with water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

R20/22;R36/37/38;R42

safety instructions：

S23-S26-S36

RTECS Number：

AI4450000

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H315-H317-H319-H334-H335

GHS Classification：

|Danger|H302 (95.74%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl isocyanatoacetate Use and Manufacturing

Manufacturing Info：

Acetic acid, 2-isocyanato-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:129.11
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:129.042593085
Monoisotopic Mass:129.042593085
Topological Polar Surface Area:55.7
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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