ChemicalBook CAS DataBase List 1836-77-7

1836-77-7

Name	4-Cyanotetrahydropyran
CAS	1836-77-7
EINECS(EC#)	217-407-6
Molecular Formula	C12H6Cl3NO3
MDL Number	MFCD00210255
Molecular Weight	318.54
MOL File	1836-77-7.mol

Chemical Properties

Melting point	105-106°
Boiling point	206°C (rough estimate)
density	1.533
refractive index	1.6200 (estimate)
storage temp.	0-6°C
color	Pale yellow needles
Water Solubility	764ug/L(22 ºC)
BRN	1890443
Henry's Law Constant	8.1×10⁰ mol/(m³Pa) at 25℃, Kawamoto and Urano (1989)
Major Application	agriculture environmental
InChI	1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H
InChIKey	XQNAUQUKWRBODG-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1
EPA Substance Registry System	Chlornitrofen (1836-77-7)

Safety Data

Hazard Codes	Xi,F,N
Risk Statements	50/53 less more
Safety Statements	60-61 less more
RIDADR	UN 3077 9 / PGIII
WGK Germany	3
HS Code	2904200090
Storage Class	11 - Combustible Solids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 1
Toxicity	LC50 in carp (48 hr): >10,000 mg/l; LC50 in flea (3 hr): >40,000 mg/l (Kanazawa) less more

Raw materials And Preparation Products

Hazard Information

Description

Chlornitrofen is an obsolete rice herbicide, It has a low aqueous solubility and is non-volatile. It is moderately toxic to fish, algae and aquatic invertebrates. Chlornitrofen has a low oral mammalian toxicity and may be a reproduction/developmental toxin.

Chemical Properties

Yellow crystalline powder. Melting point 107°C, boiling point 210°C (0.8-0.93 kPa), relative density 1.6424 (23/4°C). Vapor pressure 47 Pa at 109°C. Freely soluble in benzene and toluene, slightly soluble in ether, and sparingly soluble in water (0.25 ppm at 25°C).

Uses

Herbicide.

Definition

ChEBI: 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.

Mechanism of action

Selective, contact. Protoporphyrinogen oxidase inhibitor.

Safety Profile

Low toxicity by ingestion and skincontact. Mutation data reported. Used as an herbicide.When heated to decomposition it emits very toxic fumesof NOx and Clí.

Metabolic pathway

Degradation of chlornitrofen by microorganisms isolated from soils gives rise to the reduction of the nitro group of chlornitrofen to the amino analog, and the successive N-acetylation or N-methylation and the cleavage of the ether linkage are dominant metabolic pathways. The metabolic pathways, however, differ depending on microorganisms and the media. The replacement of the amino group by hydroxyl group, the reduction and successive formylation of p-nitrophenol, and the cleavage of the phenyl ring ultimately to produce CO2 are also observed.

Pesticide Type

Herbicide

Questions And Answer

Supplier

J & K SCIENTIFIC LTD.

Telephone18210857532 18210857532

Websitehttps://www.jkchemical.com

Shandong Xiya Chemical Co., Ltd

Telephone13355009207 13355009207

Websitehttp://www.xiyashiji.com

Sichuan Kulinan Technology Co., Ltd

Telephone400-1166-196 18981987031

Websitehttp://www.hx-r.com/

Chengdu Ai Keda Chemical Technology Co., Ltd.

Telephone4008-755-333 18080918076

Websitehttp://www.aikeshiji.com

9ding chemical ( Shanghai) Limited

Telephone4009209199

Websitehttp://www.9dingchem.com

Shanghai Aladdin Bio-Chem Technology Co.,LTD

Telephone400-6206333 13167063860

Websitehttp://www.aladdin-e.com/

Shanghai JONLN Reagent Co., Ltd.

Telephone400-0066400 13621662912

Websitehttp://www.jonln.com

TianJin Alta Scientific Co., Ltd.

Telephone022-65378550-8551

Websitehttp://www.altascientific.cn

ShangHai KenEn Chemical Technology Co., Ltd.

Telephone 13120367189;18621755571

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList16352/0_EN.htm

Alta Scientific Co., Ltd.

Telephone022-6537-8550 15522853686

Websitehttp://www.altascientific.cn

Shanghai EFE Biological Technology Co., Ltd.

Telephone021-65675885 18964387627

Websitehttp://www.efebio.com

Shanghai YuanYe Biotechnology Co., Ltd.

Telephone 13636370518

Websitehttps://www.shyuanye.com

Amadis Chemical Company Limited

Telephone571-89925085

Websitehttp://www.amadischem.com

Shandong Ono Chemical Co., Ltd.

Telephone0539-6362799 20）

Websitehttp://www.onochem.com

Shanghai BaiShun Biological Technology Co., Ltd

Telephone021-37581181

Websitehttp://www.chem-mall.com

Shanghai Zhen Li Biological Technology Co., Ltd

Telephone021-16621358918; 18516310516;16621358918;13045646768

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList30395/0_EN.htm

Shanghai Jizhi Biochemical Technology Co. Ltd.

Telephone021-4009004166/18616739031 18616739031

Websitehttp://www.acmec-e.com/

Shenzhen Polymeri Biochemical Technology Co., Ltd.

Telephone+86-400-002-6226

Websitehttps://www.rrkchem.com

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1836-77-7

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Hazard Information

Description

Chemical Properties

Uses

Definition

Mechanism of action

Safety Profile

Metabolic pathway

Pesticide Type

Questions And Answer

Synthesis

Supplier

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