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4-Fluoro-3-methylbenzonitrile

4-Fluoro-3-methylbenzonitrile structure

CAS No:
185147-08-4
Formula:
C8H6FN
Chemical Name:
4-Fluoro-3-methylbenzonitrile
Synonyms:
Benzonitrile,4-fluoro-3-methyl-;4-Fluoro-3-methylbenzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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4-Fluoro-3-methylbenzonitrile Basic Attributes

Molecular Weight：

135.14

Exact Mass：

135.14

EC Number：

1533716-785-6

DSSTox ID：

DTXSID60381307

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.7

Density：

1.11±0.1 g/cm3(Predicted)

Melting Point：

53-56°C

Boiling Point：

220.3±20.0 °C(Predicted)

Flash Point：

93.8±12.1 °C

Refractive Index：

1.508

Vapor Pressure：

0.000844mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

hazard class code：

safety instructions：

Marks：

T,Xi

Hazard note：

Toxic

Precautionary statement(s)：

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

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Fluoro-3-methylbenzonitrile Use and Manufacturing

4-Fluoro-3-methylbenzonitrile (7). 10.00 g (65.29 mmol) 4-fluoro-3-methyl-benzoic acid amide are stirred together with 50 ml phosphorus oxychloride for 4 hours at 60° C. and then evaporated down i. vac. The residue is poured into ice water, the resulting precipitate is filtered off and washed with water. After being taken up in ethyl acetate the organic phase is washed with sat. potassium carbonate solution, dried over sodium sulphate and evaporated down completely i. vac. Yield: 8.00 g (91percent) C

Computed Properties

Molecular Weight:135.14
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Exact Mass:135.048427358
Monoisotopic Mass:135.048427358
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Fluoro-3-methylbenzonitrile

CAS No.: 185147-08-4

Content: 99.00%

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Guide of 4-Fluoro-3-methylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Fluoro-3-methylbenzonitrile

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