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2,6-Difluorobenzamide

2,6-Difluorobenzamide structure

CAS No:
18063-03-1
Formula:
C7H5F2NO
Chemical Name:
2,6-Difluorobenzamide
Synonyms:
Benzamide,2,6-difluoro-;2,6-Difluorobenzamide
Categories:
Agrochemicals > Pesticide Intermediates

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Description

white powder

2,6-Difluorobenzamide Basic Attributes

Molecular Weight：

157.12

Exact Mass：

157.12

BRN：

2047480

EC Number：

241-972-8

UNII：

SJ2RN214MK

DSSTox ID：

DTXSID4073417

HScode：

29242990

Characteristics

PSA：

43.1

XLogP3：

0.3

Appearance：

white to off-white powder

Density：

1,199g/cm

Melting Point：

145-148 °C

Boiling Point：

51-52C/15Tor

Flash Point：

67.3±24.6 °C

Refractive Index：

1508

Water Solubility：

ethanol: soluble5%, clear to turbid, colorless to light yellow

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.622mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20

safety instructions：

26-37/39-36/37

RTECS Number：

CV4355050

Marks：

Xi,Xn

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H332-H335

GHS Classification：

|Warning|H302 (30.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 301 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,6-difluorobenzamide

2,6-Difluorobenzamide Use and Manufacturing

Methods of Manufacturing

The preparation method is to use sulfuric acid as a catalyst, 2,6-difluorobenzonitrile and water undergo a nucleophilic addition reaction to generate 2,6-difluorobenzamide sulfate, neutralize the sulfuric acid with alkali, and 2,6-difluorobenzamide Fluorobenzamide can be released. The reaction equation is shown in the figure: add 2,6-difluorobenzonitrile and 90% sulfuric acid into an enamel reactor, stir and react at 65～70℃ for 5h, then neutralize with NaOH solution to pH=6, and the temperature drops to 20℃ After filtering, wash with a small amount of water to remove the adsorbed sodium sulfate, and dry to obtain 2,6-difluorobenzamide.

Uses

Used as an intermediate for the synthesis of fluorobenzoyl urea pesticides. It can be used to prepare various insecticides and acaricides such as hexaflumuron, diflubenzuron, diflubenzuron, etc.

Manufacturing Info：

Benzamide, 2,6-difluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

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

Agrochemical：

CGA 149772 is a known environmental transformation product of Lufenuron, Novaluron, and Teflubenzuron.

Computed Properties

Molecular Weight:157.12
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:157.03392011
Monoisotopic Mass:157.03392011
Topological Polar Surface Area:43.1
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Potassium fluoride

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