1H-Imidazole-4-carboxamide,5-[3,3-bis(2-chloroethyl)-1-triazenyl]-

Modify Date: 2024-01-09 16:24:24

1H-Imidazole-4-carboxamide,5-[3,3-bis(2-chloroethyl)-1-triazenyl]- Structure
1H-Imidazole-4-carboxamide,5-[3,3-bis(2-chloroethyl)-1-triazenyl]- structure
Common Name 1H-Imidazole-4-carboxamide,5-[3,3-bis(2-chloroethyl)-1-triazenyl]-
CAS Number 5034-77-5 Molecular Weight 279.12600
Density 1.59g/cm3 Boiling Point 415.2ºC at 760mmHg
Molecular Formula C8H12Cl2N6O Melting Point N/A
MSDS N/A Flash Point 204.9ºC

 Names

Name Imidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.59g/cm3
Boiling Point 415.2ºC at 760mmHg
Molecular Formula C8H12Cl2N6O
Molecular Weight 279.12600
Flash Point 204.9ºC
Exact Mass 278.04500
PSA 99.73000
LogP 1.98720
Index of Refraction 1.663

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI3930000
CHEMICAL NAME :
Imidazole-4-carboxamide, 5-(3,3-bis(2-chloroethyl)-1-triazeno)-
CAS REGISTRY NUMBER :
5034-77-5
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H12-Cl2-N6-O
MOLECULAR WEIGHT :
279.16
WISWESSER LINE NOTATION :
T5M CNJ DVZ ENUNN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
9 gm/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting
REFERENCE :
CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 56,671,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
267 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60060 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 mg/kg/7W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
REFERENCE :
CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948- Volume(issue)/page/year: 40,1935,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 33,3069,1973
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1170 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
REFERENCE :
CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948- Volume(issue)/page/year: 40,1935,1977 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 33,2231,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
900 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 12,259,1975

 Synonyms

5(4)-<3,3-Bis-(2-chlorethyl)-1-triazeno>-imidazol-4(5)-carboxamid
5-[3,3-Bis(2-chloroethyl)-1-triazeno]-imidazole-4-carboxamide
Carboxamide,5(or 4)-3,3-bis(2-chloroethyl)-triazenoimidazole-4(or 5)
Ic(hn2)t
imidazole mustard
5-{3,3-bis-[(2-chloro-ethyl)-triaz-1-enyl]}-1(3)H-imidazole-4-carboxylic acid amide
5-<3,3-Bis(2-chlorethyl)-I-triazeno>imidazol-4-carboxamid
5-[3,3-Bis(2-chloroethyl)-1-triazeno]-1H-imidazole-4-carboxamide
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