Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

13551-89-8

13551-89-8 structure

Name: 1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-
Chemical Name: 1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol
CAS Number: 13551-89-8
Molecular Formula: C₆H₈FN₃O₃
Molecular Weight: 189.14400
Create Date: 2018-07-11 15:10:38
Modify Date: 2024-01-14 12:22:00

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

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

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

HS Code	2933290090

527-73-1

146580-24-7

~78%

13551-89-8

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

503-09-3

527-73-1

~78%

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

13551-90-1

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

Precursor 4
527-73-1 146580-24-7 503-09-3 13551-90-1
DownStream 0

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%

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