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Pentanochlor

Pentanochlor structure

CAS No:
2307-68-8
Formula:
C13H18ClNO
Chemical Name:
Pentanochlor
Synonyms:
Pentanamide,N-(3-chloro-4-methylphenyl)-2-methyl-;p-Valerotoluidide,3′-chloro-2-methyl-;N-(3-Chloro-4-methylphenyl)-2-methylpentanamide;3′-Chloro-2-methyl-p-valerotoluidide;Dutom;Niagara 4512;Solan;CMMP;Chlorpentan;Hortox;Solan (herbicide);Solane;Pentanochlor;CMA;3′-Chloro-2,4′-dimethylvaleranilide;CMMP (herbicide);2-Methyl-pentanoic acid (3-chloro-4-methyl-phenyl)-amide;12738-30-6
Categories:
Analytical Chemistry > Standard

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Description

Solid. Insoluble in water; sol- uble in pine oil, diisobutyl ketone, isophorone, and xylene. Combustible.

Pentanochlor is an anilide.

Pentanochlor Basic Attributes

Molecular Weight：

239.74

Exact Mass：

239.74

EC Number：

218-988-9

DSSTox ID：

DTXSID3042265

HScode：

2924299034

Characteristics

PSA：

29.1

XLogP3：

4.09610

Density：

1.104g/cm3

Melting Point：

85 °C

Boiling Point：

376.2ºC at 760 mmHg

Flash Point：

181.3ºC

Refractive Index：

1.545

Water Solubility：

8.5mg/L(room temperature)

Storage Conditions：

2-8°C

Vapor Pressure：

7.37E-06mmHg at 25°C

Toxicity：

Oral-Rat LD50: 5100 mg/kg; Oral-Mouse LD50: 1800 mg/kg

Flammability characteristics：

Combustion produces toxic chloride and nitrogen oxide gases

Safety Information

Transport codes：

UN16483/PG2

wgk germany：

hazard class code：

11-20/21/22-36

safety instructions：

16-36/37

RTECS Number：

YV9103000

Marks：

F,Xn

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

Toxicity

Toxicity class：

moderately toxic

Mobility：

575.44 L/kg

Drug Information

MeSH Entry Terms：

N'-chloro-2-methyl-p-valerotoluidide

Pentanochlor Use and Manufacturing

Uses

Herbicide.

Use Classification：

Agrochemicals -> Herbicides

Computed Properties

Molecular Weight:239.74
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:239.1076919
Monoisotopic Mass:239.1076919
Topological Polar Surface Area:29.1
Heavy Atom Count:16
Complexity:232
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes