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3-(Trifluoromethyl)benzaldehyde

3-(Trifluoromethyl)benzaldehyde structure

CAS No:
454-89-7
Formula:
C8H5F3O
Chemical Name:
3-(Trifluoromethyl)benzaldehyde
Synonyms:
Benzaldehyde,3-(trifluoromethyl)-;m-Tolualdehyde,α,α,α-trifluoro-;3-(Trifluoromethyl)benzaldehyde;α,α,α-Trifluoro-m-tolualdehyde;m-(Trifluoromethyl)benzaldehyde;3-(Trifluoromethyl)phenylcarboxaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS TO VERY SLIGHTLY ORANGE LIQUID

3-(Trifluoromethyl)benzaldehyde Basic Attributes

Molecular Weight：

174.12

Exact Mass：

174.12

BRN：

2327537

EC Number：

207-228-1

UNII：

AT7H4H5U3E

DSSTox ID：

DTXSID8022032

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.5

Appearance：

Clear colorless to very slightly orange Liquid

Density：

1.300 g/cm³ @ Temp: 27 °C

Boiling Point：

83-86 °C

Flash Point：

155 °F

Refractive Index：

1.476

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.

Vapor Pressure：

3.05mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P273-P305 + P351 + P338

Hazard Statements：

H315-H319-H335-H400

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Trifluoromethyl)benzaldehyde Use and Manufacturing

Manufacturing Info：

Benzaldehyde, 3-(trifluoromethyl)-: ACTIVE

Computed Properties

Molecular Weight:174.12
XLogP3:2.5
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 3-(Trifluoromethyl)benzaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-(Trifluoromethyl)benzaldehyde

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