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4-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE

4-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE structure

CAS No:
261952-06-1
Formula:
C9H6F3N
Chemical Name:
4-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE
Synonyms:
3-Trifluoromethyl-4-methyl benzonitrile;5-Cyano-2-methylbenzotrifluoride;4-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE;3-TRIFLUOROMETHYL-P-TOLUNITRILE;4-Methyl-3-(trifluoromethyl)benzonitrile3-Trifluoromethyl-4-methylbenzonitrile;Benzonitrile, 4-methyl-3-(trifluoromethyl)-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE Basic Attributes

Molecular Weight：

185.15

Exact Mass：

185.04523368

DSSTox ID：

DTXSID80379605

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

2.88548

Density：

1 g/cm3

Melting Point：

60-62°C

Boiling Point：

220.0±35.0 °C(Predicted)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Danger|H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:185.15
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Exact Mass:185.04523368
Monoisotopic Mass:185.04523368
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Trifluoromethyl-4-methylbenzonitrile

CAS No.: 261952-06-1

Content: 99.00%

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Guide of 4-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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