2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol

Modify Date: 2024-01-23 19:26:45

2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol Structure
2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol structure
Common Name 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
CAS Number 120398-89-2 Molecular Weight 217.17900
Density 1.56g/cm3 Boiling Point 523.2ºC at 760 mmHg
Molecular Formula C7H11N3O5 Melting Point N/A
MSDS N/A Flash Point 270.2ºC

 Names

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

 Chemical & Physical Properties

Density 1.56g/cm3
Boiling Point 523.2ºC at 760 mmHg
Molecular Formula C7H11N3O5
Molecular Weight 217.17900
Flash Point 270.2ºC
Exact Mass 217.07000
PSA 113.33000
Vapour Pressure 8.99E-12mmHg at 25°C
Index of Refraction 1.608

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ0819000
CHEMICAL NAME :
1,3-Propanediol, 2-((2-nitro-1H-imidazol-1-yl)methoxy)-
CAS REGISTRY NUMBER :
120398-89-2
LAST UPDATED :
199409
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H11-N3-O5
MOLECULAR WEIGHT :
217.21

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 :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #91-209323
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 80,1113,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTKRDX Gan to Kagaku Ryoho. Cancer and Chemotherapy. (1-8-9 Yaesu, Chuo-ku, Tokyo 103, Japan) V.1- 1974- Volume(issue)/page/year: 16,1399,1989

 Synthetic Route

~96%

2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol Structure

2-[(2-nitroimid...

CAS#:120398-89-2

Literature: Pola Chemical Industries Inc., Japan Patent: US4945102 A1, 1990 ;

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

rp-170