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Chemical Identification
Common Name
Nitrothal-isopropyl
中文通用名
酞菌酯
IUPAC
diisopropyl 5-nitroisophthalate
CAS
bis(1-methylethyl) 5-nitro-1,3-benzenedicarboxylate
CAS No.
10552-74-6
Molecular Formula
C14H17NO6
Molecular Structure
Physical Properties
Molecular weight:295.3g/mol; Physical form:Yellow crystals. Melting point:65℃; Flash point:400℃; Vapour pressure:<0.01 mPa (20 ℃); Partition coefficient(n-octanol and water):logP = 2.04 (pH 7); Solubility:In water 2.7 mg/l (20℃). In acetone, benzene, chloroform, ethyl acetate >100, diethyl ether 86.5, ethanol 6.6 (all in g/100 g, 20℃).; Stability:Stable under normal storage conditions. Hydrolysed by strong alkalis.
Toxicology
Oral:Acute oral LD50 for rats >6400 mg tech./ kg. Percutaneous:Acute percutaneous LD50 for rats >2500, rabbits >4000 mg/kg. Slight irritation of eyes and mucous membranes (rabbits). Inhalation: LC50 (8 h) for rats >2.8 mg/l. ADI:3.0 mg/ kg.
Environmental Profile
Ecotoxicology:
Algae: EC50 (96 h) 1.72 mg/l.Bees: LD50 (oral) >100 mg/bee.Daphnia: LC50 (48 h) 2.84 mg/l.Fish: LC50 (96 h) for trout 0.56 mg/l.Worms: LC50 (14 d) 1200 mg/ kg soil.

Environmental fate:
Animals:In rats, following 7 daily oral administrations, c. 85% is eliminated in the urine and c. 12.5% in the faeces within 6 days of the last dose.Soil: DT50 in soil <1-12 d. Adsorption coefficient KA 8.55-136.4, depending on soil type.Plant:Metabolites are 3-carbo-isopropoxy-5-nitrobenzoic acid and 5-nitroisophthalic acid.
Transport Information
Signal Word:CAUTION; Hazard Class:III(Slightly hazardous)

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