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3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE

3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE structure

CAS No:
261952-04-9
Formula:
C9H6F3N
Chemical Name:
3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE
Synonyms:
3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE;3-Methyl-5-(trifluoromethyl)benzonitrile 99%;3-Cyano-5-methylbenzotrifluoride
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE Basic Attributes

Molecular Weight：

185.15

Exact Mass：

185.04500

DSSTox ID：

DTXSID00379602

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.88548

Density：

1.24g/cm3

Boiling Point：

214.2ºC at 760mmHg

Flash Point：

83.4ºC

Refractive Index：

1.463

Vapor Pressure：

0.158mmHg at 25°C

Safety Information

Hazard category：

6.1

Transport codes：

3439

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Toxic

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 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

Recommended Suppliers of 3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
3 YRS

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Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

99% 3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE CAS NO 261952-04-9 ISO 9001:2005 REACH Verified Producer

CAS No.: 261952-04-9

Grade: Industrial Grade

Content: 99%

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Guide of 3-METHYL-5-(TRIFLUOROMETHYL)BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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