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Cloquintocet-mexyl

Cloquintocet-mexyl structure

CAS No:
99607-70-2
Formula:
C18H22ClNO3
Chemical Name:
Cloquintocet-mexyl
Synonyms:
Acetic acid,2-[(5-chloro-8-quinolinyl)oxy]-,1-methylhexyl ester;Acetic acid,[(5-chloro-8-quinolinyl)oxy]-,1-methylhexyl ester;CGA 185072;Cloquintocet-mexyl;Cloquintocet 1-methylhexyl ester;1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Cloquintocet-mexyl is a herbicide, used to control coarse annual grass of the family poaceae (gramineae).

OtherSolid

Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate is a member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8. It is an aromatic ether, an organochlorine compound, a member of quinolines and a carboxylic ester.

Cloquintocet-mexyl Basic Attributes

Molecular Weight：

335.82500

Exact Mass：

335.83

EC Number：

917-382-8

DSSTox ID：

DTXSID3041794

HScode：

2933499090

Characteristics

PSA：

48.42000

XLogP3：

5.5

Appearance：

beige solid

Density：

1.163 g/cm3

Melting Point：

69.4 °C

Boiling Point：

448.4ºC at 760 mmHg

Flash Point：

225ºC

Refractive Index：

1.554

Water Solubility：

1.76e-06 M

Storage Conditions：

0-6ºC

Vapor Pressure：

4.00e-08 mmHg

Toxicity：

LD50 in rats (mg/kg): >2000 orally; >2000 dermally; LC50 (4 hr) in rats: >935 mg/m3 by inhalation (Amrein)

Safety Information

Transport codes：

UN 3077

wgk germany：

hazard class code：

R43

safety instructions：

S36/37

RTECS Number：

AG1265000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (84.54%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P260, P261, P264, P271, P272, P273, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P333+P313, P337+P313, P363, P391, and P501|Aggregated GHS information provided by 317 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cloquintocet-mexyl

Cloquintocet-mexyl Use and Manufacturing

Uses

Safener for the herbicide cyproterone.

agricultural pesticides

Non-TSCA use

Production

100,000 - 500,000 lb

Manufacturing Info：

Pesticide, fertilizer, and other agricultural chemical manufacturing|Acetic acid, 2-[(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Agrochemicals -> Safeners|Pharmaceuticals|Safeners

Computed Properties

Molecular Weight:335.8
XLogP3:5.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:335.1288213
Monoisotopic Mass:335.1288213
Topological Polar Surface Area:48.4
Heavy Atom Count:23
Complexity:366
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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