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Propanoic acid, 3-isocyanato-, ethyl ester

Propanoic acid, 3-isocyanato-, ethyl ester structure

CAS No:
5100-34-5
Formula:
C6H9NO3
Chemical Name:
Propanoic acid, 3-isocyanato-, ethyl ester
Synonyms:
Propanoic acid,3-isocyanato-,ethyl ester;Propionic acid,3-isocyanato-,ethyl ester;Ethyl 3-isocyanatopropanoate;Ethyl 3-isocyanatopropionate;3-Isocyanatopropanoic acid ethyl ester;3-Isocyanato-propionic acid ethyl ester;1025436-15-0

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Description

clear colorless liquid

Propanoic acid, 3-isocyanato-, ethyl ester Basic Attributes

Molecular Weight：

143.14

Exact Mass：

143.14

BRN：

1705618

DSSTox ID：

DTXSID50369871

HScode：

2929109000

Characteristics

PSA：

55.73000

XLogP3：

0.27540

Appearance：

Clear colorless to yellow Liquid

Density：

1.087

Boiling Point：

94-95 °C @ Press: 20 Torr

Flash Point：

92°C

Refractive Index：

1.4275-1.4295

Water Solubility：

Not miscible with water.

Storage Conditions：

0-6°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

37/39-36-26-23

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:143.14
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:143.058243149
Monoisotopic Mass:143.058243149
Topological Polar Surface Area:55.7
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoic acid, 3-isocyanato-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Propanoic acid, 3-isocyanato-, ethyl ester

SDS

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