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

Modify Date: 2025-08-27 14:48:00

1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)- Structure
1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)- structure
Common Name 1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-
CAS Number 13551-92-3 Molecular Weight 187.15300
Density 1.61g/cm3 Boiling Point 521.5ºC at 760mmHg
Molecular Formula C6H9N3O4 Melting Point N/A
MSDS N/A Flash Point 269.2ºC

 Names

Name 3-(2-nitroimidazol-1-yl)propane-1,2-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.61g/cm3
Boiling Point 521.5ºC at 760mmHg
Molecular Formula C6H9N3O4
Molecular Weight 187.15300
Flash Point 269.2ºC
Exact Mass 187.05900
PSA 104.10000
Vapour Pressure 1.05E-11mmHg at 25°C
Index of Refraction 1.643

 Toxicological Information

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

 Safety Information

HS Code 2933290090

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933290090
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%

 Synonyms

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
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