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Methyl cyanoformate

Methyl cyanoformate structure

CAS No:
17640-15-2
Formula:
C3H3NO2
Chemical Name:
Methyl cyanoformate
Synonyms:
Carbonocyanidic acid,methyl ester;Formic acid,cyano-,methyl ester;Methyl cyanoformate;Methyl carbonocyanidate;Mander's reagent;Cyanoformic acid methyl ester;[(Cyanocarbonyl)oxy]methane;2-Methoxy-2-oxoacetonitrile
Categories:
Chemical Reagents > Organic Reagents

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Methyl cyanoformate Basic Attributes

Molecular Weight：

85.06

Exact Mass：

85.06

EC Number：

241-626-6

DSSTox ID：

DTXSID1066235

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

-0.26

Density：

1.0719 g/cm³ @ Temp: 20 °C

Melting Point：

185-186 °C

Boiling Point：

96-97 °C

Flash Point：

79 °F

Refractive Index：

1.387

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3275 6.1/PG 2

wgk germany：

hazard class code：

10-26/27/28-36/38-36/37/38

safety instructions：

26-28-36/37-45

RTECS Number：

LQ7525000

Marks：

T+

Precautionary statement(s)：

P260-P264-P280-P284-P301 + P310-P302 + P350

Hazard Statements：

H226-H300 + H310 + H330-H315-H319

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl cyanoformate Use and Manufacturing

Manufacturing Info：

Carbonocyanidic acid, methyl ester: INACTIVE

Computed Properties

Molecular Weight:85.06
XLogP3:0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:85.016378338
Monoisotopic Mass:85.016378338
Topological Polar Surface Area:50.1
Heavy Atom Count:6
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes