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1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-

1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-


  • 中文别名:3-(2-硝基-1H-咪唑-1-基)-1,2-丙二醇
  • 中文释义:3-(2-硝基-1H-咪唑-1-基)-1,2-丙二醇;3-(2-硝基-1H-咪唑基-1-基)丙烷-1,2-二醇
  • 英文别名:3-(2-nitroimidazol-1-yl)propane-1,2-diol;
    2-Hydroxy-3-(2-nitro-1-imidazolyl)-propanol;
    Desmethylmisonidazole;
    EINECS 236-932-1;
    3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diol;
    1-(2-nitro-1-imidazolyl)-3-hydroxypropanol;
    Ro 5-9963;
    O-Desmethyl-misonidazole;
    3-(2-nitro-imidazol-1-yl)-propane-1,2-diol;
    3-(2-Nitro-I-imidazolyl)-1,2-propanediol;
    1-(2,3-dihydroxypropyl)-2-nitroimidazole;
    Demethylmisonidazole 
  • CAS No.:13551-92-3
  • 分子式:

    C6H9N3O4

  • 分子量:187.18
  • 精确分子量:187.05900
  • PSA:104.10000
  • InChI:The Key: NUGLIYXAARVRPQ-UHFFFAOYSA-N
  • 分子结构式:

物化性质

密度:
1.61g/cm3
沸点:
521.5ºC at 760mmHg
闪点:
269.2ºC
折射率:
1.643
蒸汽压:
1.05E-11mmHg at 25°C

安全信息

密度:
1.61g/cm3
沸点:
521.5ºC at 760mmHg
闪点:
269.2ºC
折射率:
1.643
蒸汽压:
1.05E-11mmHg at 25°C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ0818000
CHEMICAL NAME :
1,2-Propanediol, 3-(2-nitroimidazol-1-yl)-
CAS REGISTRY NUMBER :
13551-92-3
BEILSTEIN REFERENCE NO. :
0613156
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C6-H9-N3-O4
MOLECULAR WEIGHT :
187.18
WISWESSER LINE NOTATION :
T5N CNJ A1YQ1Q BNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5076 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2532 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - contraction (isolated tissue)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2730 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - nausea or vomiting
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9020 mg/kg/20D-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
3340 mg/kg/20D-I
TOXIC EFFECTS :
Behavioral - ataxia Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2250 mg/kg/20D-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - mouse Embryo
DOSE/DURATION :
1 mmol/L/3D (Continuous)
REFERENCE :
45OJAG "Radiation Sensitizers: Their Use in the Clinical Management of Cancer, Proceedings of the Conference, Key Biscayne, FL, 1979," Brady, L.W., ed., New York, Masson Pub. USA, Inc., 1980 Volume(issue)/page/year: -,146,1980

海关数据

中国海关编码:2933290090

概述:
2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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