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TRIFLUOROPYRUVICACID,MONOHYDRATE

TRIFLUOROPYRUVICACID,MONOHYDRATE structure

CAS No:
431-72-1
Formula:
C3H3F3O4
Chemical Name:
TRIFLUOROPYRUVICACID,MONOHYDRATE
Synonyms:
Trifluoropyruvicacid;Trifluoropyruvicacidhydrate;TRIFLUOROPYRUVICACID,MONOHYDRATE;3,3,3-Trifluoro-2-oxopropanoicacid
Categories:
Organic Chemistry > Coordination Complexes

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TRIFLUOROPYRUVICACID,MONOHYDRATE Basic Attributes

Molecular Weight：

160.04900

Exact Mass：

159.99800

DSSTox ID：

DTXSID10546989

HScode：

2918300090

Characteristics

PSA：

77.76000

XLogP3：

-1.25150

Density：

1.578 g/cm3

Melting Point：

122-125ºC

Boiling Point：

54.3ºC at 760 mmHg

Refractive Index：

1.413

Vapor Pressure：

10mmHg at 25°C

Safety Information

Transport codes：

UN 3261

hazard class code：

R34

safety instructions：

26-36/37/39

Marks：

C: Corrosive;Xi: Irritant;

Precautionary statement(s)：

P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (66.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:160.05
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:159.99834306
Monoisotopic Mass:159.99834306
Topological Polar Surface Area:55.4
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of TRIFLUOROPYRUVICACID,MONOHYDRATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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