1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-

Modify Date: 2024-01-14 12:22:00

1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro- Structure
1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro- structure
Common Name 1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-
CAS Number 13551-89-8 Molecular Weight 189.14400
Density 1.55 g/cm3 Boiling Point 433.3ºC at 760 mmHg
Molecular Formula C6H8FN3O3 Melting Point N/A
MSDS N/A Flash Point 215.8ºC

 Names

Name 1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.55 g/cm3
Boiling Point 433.3ºC at 760 mmHg
Molecular Formula C6H8FN3O3
Molecular Weight 189.14400
Flash Point 215.8ºC
Exact Mass 189.05500
PSA 83.87000
LogP 0.64490
Vapour Pressure 2.82E-08mmHg at 25°C
Index of Refraction 1.589

 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 Code 2933290090

 Synthetic Route

~78%

1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro- Structure

1H-Imidazole-1-...

CAS#:13551-89-8

Literature: Revunov, Evgeny; Zhuravlev, Fedor Journal of Fluorine Chemistry, 2013 , vol. 156, p. 130 - 135

~78%

1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro- Structure

1H-Imidazole-1-...

CAS#:13551-89-8

Literature: Yamamoto, Fumihiko; Oka, Hidenobu; Antoku, Shigetoshi; Ichiya, Yu-Ichi; Masuda, Kouji; Maeda, Minoru Biological and Pharmaceutical Bulletin, 1999 , vol. 22, # 6 p. 590 - 597

~%

1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro- Structure

1H-Imidazole-1-...

CAS#:13551-89-8

Literature: Graham, Thomas J. A.; Lambert, R. Frederick; Ploessl, Karl; Kung, Hank F.; Doyle, Abigail G. Journal of the American Chemical Society, 2014 , vol. 136, # 14 p. 5291 - 5294

 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

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