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Methyl trifluoropyruvate

Methyl trifluoropyruvate structure

CAS No:
13089-11-7
Formula:
C4H3F3O3
Chemical Name:
Methyl trifluoropyruvate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Methyl trifluoropyruvate Basic Attributes

Molecular Weight：

156.06

Exact Mass：

156.003433

BRN：

1863490

EC Number：

1312995-182-4

DSSTox ID：

DTXSID30370581

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

1.1

Appearance：

Clear colorless to light yellow Liquid

Density：

1.4±0.1 g/cm3

Melting Point：

84-86ºC

Boiling Point：

86 °C(lit.)

Flash Point：

80 °F

Refractive Index：

1.331

Storage Conditions：

Flammables area

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

safety instructions：

45-36/37/39-26-16-24/25

Marks：

C,F,Xi

Hazard note：

Flammable

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (97.83%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:156.06
XLogP3:1.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:156.00342844
Monoisotopic Mass:156.00342844
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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