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4-Chlorophenylurea

4-Chlorophenylurea structure

CAS No:
140-38-5
Formula:
C7H7ClN2O
Chemical Name:
4-Chlorophenylurea
Synonyms:
Urea,N-(4-chlorophenyl)-;Urea,(4-chlorophenyl)-;Urea,(p-chlorophenyl)-;N-(4-Chlorophenyl)urea;(p-Chlorophenyl)urea;4-Chlorophenylurea;p-CPU;3-(p-Chlorophenyl)urea;1-(4-Chlorophenyl)urea;NSC 12971;NSC 400071
Categories:
Agrochemicals > Pesticide Intermediates

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4-Chlorophenylurea Basic Attributes

Molecular Weight：

170.6

Exact Mass：

170.60

BRN：

908492

EC Number：

205-412-6

UNII：

52HM99ELKB

NSC Number：

400071|12971

DSSTox ID：

DTXSID5041512

HScode：

2924299090

Characteristics

PSA：

55.1

XLogP3：

1.8

Appearance：

white granular / prill

Density：

1.402±0.06 g/cm3(Predicted)

Melting Point：

212 °C

Boiling Point：

271.7±23.0 °C(Predicted)

Flash Point：

118.1±22.6 °C

Refractive Index：

1.649

Water Solubility：

>25.6 [ug/mL]

Vapor Pressure：

0.00634mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

safety instructions：

22-24/25

RTECS Number：

YS6127000

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (92.68%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chlorophenylurea Use and Manufacturing

Methods of Manufacturing

The preparation method is to obtain p-chlorophenylurea by reacting p-chloroaniline hydrochloride with sodium cyanate. Add a certain amount of p-chloroaniline, concentrated hydrochloric acid and water to the reaction kettle to dissolve it, and cool to room temperature. In another reactor, the solid sodium cyanate was dissolved in water and filtered to obtain a colorless solution. Under stirring, this solution was gradually added to the reaction kettle containing p-chloroaniline hydrochloride, and the feeding temperature was controlled to not exceed 30°C. After the addition is complete, stir at 30°C for 2 hours, filter, wash the solid with water 2 to 3 times, and dry to obtain the product p-chlorophenylurea.

Uses

P-chlorophenylurea is an intermediate of non-phosgene route (sodium cyanate method) to synthesize diflubenzuron.

Use Classification：

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

Agrochemical：

CPU 4-chlorophenylurea is a known environmental transformation product of Diflubenzuron.

Computed Properties

Molecular Weight:170.59
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:170.0246905
Monoisotopic Mass:170.0246905
Topological Polar Surface Area:55.1
Heavy Atom Count:11
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Chloroaniline