CAS 13551-89-8|1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-

Introduction:Basic information about CAS 13551-89-8|1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-
CAS Number13551-89-8Molecular Weight189.14400
Density1.55 g/cm3Boiling Point433.3ºC at 760 mmHg
Molecular FormulaC6H8FN3O3Melting Point/
MSDS/Flash Point215.8ºC

Names

Name1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol
SynonymMore Synonyms

Chemical & Physical Properties

Density1.55 g/cm3
Boiling Point433.3ºC at 760 mmHg
Molecular FormulaC6H8FN3O3
Molecular Weight189.14400
Flash Point215.8ºC
Exact Mass189.05500
PSA83.87000
LogP0.64490
Vapour Pressure2.82E-08mmHg at 25°C
Index of Refraction1.589
InChIKeyHIIJZYSUEJYLMX-UHFFFAOYSA-N
SMILESO=[N+]([O-])c1nccn1CC(O)CF

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI5566000
CHEMICAL NAME :
Imidazole-1-ethanol, alpha-(fluoromethyl)-2-nitro-
CAS REGISTRY NUMBER :
13551-89-8
BEILSTEIN REFERENCE NO. :
0522249
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H8-F-N3-O3
MOLECULAR WEIGHT :
189.17
WISWESSER LINE NOTATION :
T5N CNJ A1YQ1F BNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
620 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 :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

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 Code2933290090

Customs

HS Code2933290090
Summary2933290090. 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

Fluoromisonidazole
1-(2-Hydroxy-3-fluoropropyl)-2-nitroimidazole
1-(2-Nitro-1-imidazolyl)-3-fluoro-2-propanol
Ro-07-0741
1-fluoro-3-(2-nitro-imidazol-1-yl)-propan-2-ol
SR 1367
SR 1369
KU 2210
1-(3-fluoro-2-hydroxypropyl)-2-nitroimidazole
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