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2-(Trifluoromethyl)benzaldehyde

2-(Trifluoromethyl)benzaldehyde structure

CAS No:
447-61-0
Formula:
C8H5F3O
Chemical Name:
2-(Trifluoromethyl)benzaldehyde
Synonyms:
Benzaldehyde,2-(trifluoromethyl)-;o-Tolualdehyde,α,α,α-trifluoro-;2-(Trifluoromethyl)benzaldehyde;o-(Trifluoromethyl)benzaldehyde;α,α,α-Trifluoro-o-tolualdehyde
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to slightly yellow liquid

2-(Trifluoromethyl)benzaldehyde Basic Attributes

Molecular Weight：

174.12

Exact Mass：

174.12

BRN：

2045512

EC Number：

207-185-9

DSSTox ID：

DTXSID40196279

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.6

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.3±0.1 g/cm3

Melting Point：

205 °C

Boiling Point：

70 °C

Flash Point：

142 °F

Refractive Index：

1.476

Water Solubility：

soluble in most organic solvents.

Vapor Pressure：

0.445mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 1993 3/PG III

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37/39-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (10.2%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:174.12
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:174.02924926
Monoisotopic Mass:174.02924926
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Trifluoromethyl)benzaldehyde

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Basic Attributes
Characteristics
Safety Information
Computed Properties
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