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4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE

4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE structure

CAS No:
4021-50-5
Formula:
C8H5F3OS
Chemical Name:
4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE
Synonyms:
4-TRIFLUOMETHYLTHIOBENZOLDEHYE;4-trifluomethylthiobenzoldehyde;4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE;4-(Trifluoromethylthio)benzaldehyde98%;4-(Trifluoromethylthio)benzaldehyde98%;4-((Trifluoromethyl)sulfanyl)benzaldehyde;4-(Trifluoromethylthio)benzaldehyde,90+%;4-(Trifluoromethylthio)benzaldehyde,p-(Trifluoromethylthio)benzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE Basic Attributes

Molecular Weight：

206.182

Exact Mass：

206.001312

DSSTox ID：

DTXSID90380681

HScode：

2930909090

Characteristics

PSA：

42.4

XLogP3：

3.35

Density：

1.4±0.1 g/cm3

Melting Point：

29-31 °C(lit.)

Boiling Point：

182.8±40.0 °C at 760 mmHg

Flash Point：

64.4±27.3 °C

Refractive Index：

1.508

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (88.64%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:206.19
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:206.00132044
Monoisotopic Mass:206.00132044
Topological Polar Surface Area:42.4
Heavy Atom Count:13
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4021-50-5

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Guide of 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE

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