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Chlornitrofen

Chlornitrofen structure

CAS No:
1836-77-7
Formula:
C12H6Cl3NO3
Chemical Name:
Chlornitrofen
Synonyms:
Benzene,1,3,5-trichloro-2-(4-nitrophenoxy)-;Ether,p-nitrophenyl 2,4,6-trichlorophenyl;1,3,5-Trichloro-2-(4-nitrophenoxy)benzene;MC 1478;2,4,6-Trichlorophenyl 4-nitrophenyl ether;p-Nitrophenyl 2,4,6-trichlorophenyl ether;CNP;2,4,6-Trichlorophenyl p-nitrophenyl ether;2,4,6-Trichloro-4′-nitrodiphenyl ether;MO 338;Chlornitrofen;CNP 1032;MC 338;1-Nitro-4-(2,4,6-trichlorophenoxy)benzene;2′,4′,6′-Trichloro-4-nitrodiphenyl ether;4-Nitrophenyl 2,4,6-trichlorophenyl ether
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Chlornitrofen is an aromatic ether, a member of chlorobenzenes and a C-nitro compound. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a herbicide.

Chlornitrofen Basic Attributes

Molecular Weight：

318.54

Exact Mass：

318.54

EC Number：

217-407-6

UNII：

1NMN2MY1CW

DSSTox ID：

DTXSID0041775

Characteristics

PSA：

55.05000

XLogP3：

5.87050

Appearance：

yellow crystalline powder

Density：

1.533

Melting Point：

105.5 °C

Boiling Point：

210 °C @ Press: 6 Torr

Flash Point：

177.8ºC

Refractive Index：

1.6200 (estimate)

Water Solubility：

2.40e-06 M

Storage Conditions：

0-6°C

Toxicity：

Oral-Rat LD50: 10800 mg/kg; Oral-Mouse LD50: 10000 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxides and chloride gases

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

Marks：

Xi,F,N

Storage features：

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

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

Bioconcentration：

2.04e+03

Mobility：

7.94e+03 L/kg

Drug Information

Biological Half-Life：

5.62 Days

MeSH Entry Terms：

1,3,5-trichloro-2-(4-nitrophenoxy)benzene

Chlornitrofen Use and Manufacturing

Herbicide.

Computed Properties

Molecular Weight:318.5
XLogP3:4.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:316.941326
Monoisotopic Mass:316.941326
Topological Polar Surface Area:55
Heavy Atom Count:19
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes