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98730-04-2

98730-04-2 Structure

98730-04-2 Structure
IdentificationMore
[Name]

Benoxacor
[CAS]

98730-04-2
[Synonyms]

2-PHENYL-4,6-DICHLORO PYRIMIDINE
4,6-DICHLORO-2-PHENYLPYRIMIDINE
BENOXACOR
FENCLORIM
SOFIT
(+-)-2,2-dichloro-1-(3,4-dihydro-3-methyl-2h-1,4-benzoxazin-4-yl)ethanone
(+-)-4-(dichloroacetyl)-3,4-dihydro-3-methyl-2h-1,4-benzoxazine
4-dihydro-3-methyl-4-benzoxazin(+-)-2h-4-(dichloroacetyl)-3
(±)2,2-dichloro-1-(3,4-dichloro-3-methyl-2H-1,4-bensoxazin-4-yl)ethanone
primextras
BENOXACOR PESTANAL, 250 MG
BENOXACOR, 96%TC
(RS)-4-Dichloroacetyl-3,4-dihydro-3-methyl-2H-1,4-benzoxazine
benoxacor (bsi, draft e-iso)
BENOXACOR STANDARD
4-(Dichloroacetyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CGA-154281
[EINECS(EC#)]

619-372-6
[Molecular Formula]

C10H6Cl2N2
[MDL Number]

MFCD00754193
[Molecular Weight]

225.07
[MOL File]

98730-04-2.mol
Chemical PropertiesBack Directory
[Melting point ]

105-107°
[Boiling point ]

240°C (rough estimate)
[density ]

1.3416 (rough estimate)
[vapor pressure ]

0.002Pa at 25℃
[refractive index ]

1.6070 (estimate)
[Fp ]

>107 °C
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

1.20±0.40(Predicted)
[color ]

Pale Brown to Light Brown
[Water Solubility ]

38mg/L at 25℃
[BRN ]

4190275
[LogP]

2.6 at 25℃
[CAS DataBase Reference]

98730-04-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benoxacor(98730-04-2)
[EPA Substance Registry System]

98730-04-2(EPA Substance)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

DM3029000
[HS Code ]

29349990
[Toxicity]

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

Herbicide safener.
[Definition]

ChEBI: Benoxacor is a benzoxazine.
[Flammability and Explosibility]

Nonflammable
[Metabolic pathway]

In cell suspension cultures of corn (Zea mays) with 14C-benoxacor, benoxacor is rapidly metabolized to six detectable metabolites within 0.5 h. Twelve metabolites are detected in extracts from the treated cells for 24 h. Of the three predominant metabolites present, two metabolites are the catabolic formylcarboxamide and carboxycarboxamide derivatives of benoxacor. The third one is the mono glutathione conjugate of benoxacor. This metabolite consists of a single glutathione molecule linked via the cysteinyl sulfhydryl group to the N-dichloroacetyl a- carbon of benoxacor. A catabolic a-hydroxyacetamide derivative is detected as well as its amino acid conjugates either containing glutathione residue or presumably derived from the glutathione residue. A disaccharide conjugate is identified as S-(O-diglycoside)glutathione conjugate.
Spectrum DetailBack Directory
[Spectrum Detail]

Benoxacor(98730-04-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

98730-04-2(sigmaaldrich)
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