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3,3,3-Trifluoropropanal

3,3,3-Trifluoropropanal structure

CAS No:
460-40-2
Formula:
C3H3F3O
Chemical Name:
3,3,3-Trifluoropropanal
Synonyms:
Propanal,3,3,3-trifluoro-;Propionaldehyde,3,3,3-trifluoro-;3,3,3-Trifluoropropanal;3,3,3-Trifluoropropionaldehyde
Categories:
Chemical Reagents > Organic Reagents

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3,3,3-Trifluoropropanal Basic Attributes

Molecular Weight：

112.05

Exact Mass：

112.05

DSSTox ID：

DTXSID3073189

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

1.15

Density：

1.365 g/cm³ @ Temp: 20 °C

Boiling Point：

56-56.5 °C @ Press: 745 Torr

Flash Point：

-27.4±18.8 °C

Refractive Index：

1.289

Vapor Pressure：

1410mmHg at 25°C

Safety Information

Transport codes：

1993

hazard class code：

safety instructions：

RTECS Number：

UE2801000

Marks：

Xi,F

Hazard note：

Flammable/Irritant

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

RIDADR：

UN 1993

GHS Classification：

|Warning|H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LDLo - Lowest published lethal dose	Oral	Rodent - rat	25 mg/kg	Details of toxic effects not reported other than lethal dose value--	United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-1186-0644

Drug Information

MeSH Entry Terms：

3,3,3-trifluoropropanal

Computed Properties

Molecular Weight:112.05
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:112.01359920
Monoisotopic Mass:112.01359920
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:65.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

354999-84-1

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