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2-(Trifluoromethyl)benzamide

2-(Trifluoromethyl)benzamide structure

CAS No:
360-64-5
Formula:
C8H6F3NO
Chemical Name:
2-(Trifluoromethyl)benzamide
Synonyms:
Benzamide,2-(trifluoromethyl)-;o-Toluamide,α,α,α-trifluoro-;2-(Trifluoromethyl)benzamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(Trifluoromethyl)benzamide Basic Attributes

Molecular Weight：

189.14

Exact Mass：

189.13

EC Number：

206-637-2

UNII：

5U8Y7E6AIO

DSSTox ID：

DTXSID40189560

HScode：

2924299090

Characteristics

PSA：

43.1

XLogP3：

0.7

Density：

1.3±0.1 g/cm3

Melting Point：

160-161 °C

Boiling Point：

376°C at 760 mmHg

Flash Point：

103.4±27.3 °C

Refractive Index：

1.479

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi: Irritant;

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

2-(Trifluoromethyl)benzamide Use and Manufacturing

Methods of Manufacturing

2-Trifluoromethyl benzoyl chloride (50 g) and iso-propanol (400 g) were taken in a reaction vessel and ammonia gas was purged into it. The reaction was allowed to stir for 3.5 hours at a temperature in the range of -10°C to 0°C to facilitate the reaction. The ammonium chloride was precipitated out and the reaction mixture was filtered to obtain a filtrate. The filtrate was concentrated to obtain the compound of Formula I. Yield: 90percent Purity (percent by HPLC): 99percentStep 1:

Manufacturing Info：

Benzamide, 2-(trifluoromethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Benzamide is a known environmental transformation product of Fluopyram.

Computed Properties

Molecular Weight:189.13
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:189.04014830
Monoisotopic Mass:189.04014830
Topological Polar Surface Area:43.1
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-(Trifluoromethyl)benzamide

CAS No.: 360-64-5

Content: 99.00%

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Guide of 2-(Trifluoromethyl)benzamide

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-(Trifluoromethyl)benzamide

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