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Benoxacor

Benoxacor structure

CAS No:
98730-04-2
Formula:
C11H11Cl2NO2
Chemical Name:
Benoxacor
Synonyms:
Ethanone,2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-;2H-1,4-Benzoxazine,4-(dichloroacetyl)-3,4-dihydro-3-methyl-;2,2-Dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)ethanone;Benoxacor;CGA 154281;4-Dichloroacetyl-3,4-dihydro-3-methyl-2H-1,4-benzoxazine;2,2-Dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
Categories:
Analytical Chemistry > Standard

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Description

PelletsLargeCrystals, OtherSolid, Liquid

Benoxacor is a benzoxazine.

Benoxacor Basic Attributes

Molecular Weight：

260.12

Exact Mass：

260.12

EC Number：

619-372-6

DSSTox ID：

DTXSID3029572

HScode：

2934999090

Characteristics

PSA：

29.5

XLogP3：

2.66920

Appearance：

transparent oil liquid

Density：

1.349 g/cm3

Melting Point：

107.6 °C

Boiling Point：

408.9ºC at 760 mmHg

Flash Point：

>107 °C

Refractive Index：

1.562

Water Solubility：

7.69e-05 M

Storage Conditions：

0-6°C

Vapor Pressure：

4.43e-06 mmHg

Toxicity：

LD50 (mg/kg): >5000 orally in rats; >2010 dermally in rabbits; LC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

DM3029000

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P501

Hazard Statements：

H332

GHS Classification：

|Warning|H317 (83.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P271, P272, P273, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P391, and P501|Aggregated GHS information provided by 230 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-(dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine

Benoxacor Use and Manufacturing

Uses

Herbicide safener.

Agricultural chemicals (non-pesticidal)

Agricultural products (non-pesticidal)

Manufacturing Info：

Pesticide, fertilizer, and other agricultural chemical manufacturing|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Agrochemicals -> Safeners

Computed Properties

Molecular Weight:260.11
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:259.0166840
Monoisotopic Mass:259.0166840
Topological Polar Surface Area:29.5
Heavy Atom Count:16
Complexity:273
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 98730-04-2

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