Carbamic acid,(2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI)

Modify Date: 2025-09-26 16:23:05

Carbamic acid,(2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI) Structure
Carbamic acid,(2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI) structure
Common Name Carbamic acid,(2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI)
CAS Number 6296-45-3 Molecular Weight 180.59000
Density 1.3g/cm3 Boiling Point 215.4ºC at 760 mmHg
Molecular Formula C5H9ClN2O3 Melting Point N/A
MSDS N/A Flash Point 84.1ºC

 Names

Name ethyl N-(2-chloroethyl)-N-nitrosocarbamate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 215.4ºC at 760 mmHg
Molecular Formula C5H9ClN2O3
Molecular Weight 180.59000
Flash Point 84.1ºC
Exact Mass 180.03000
PSA 58.97000
LogP 1.36510
Index of Refraction 1.493
InChIKey NFCXERZWGPTYNW-UHFFFAOYSA-N
SMILES CCOC(=O)N(CCCl)N=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EZ2100000
CHEMICAL NAME :
Carbamic acid, (2-chloroethyl)nitroso-, ethyl ester
CAS REGISTRY NUMBER :
6296-45-3
BEILSTEIN REFERENCE NO. :
1781530
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C5-H9-Cl-N2-O3
MOLECULAR WEIGHT :
180.61
WISWESSER LINE NOTATION :
ON2OVM2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Gastrointestinal - changes in structure or function of esophagus Gastrointestinal - alteration in gastric secretion
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
330 mg/m3/10M
TOXIC EFFECTS :
Behavioral - irritability Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6500 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - pleural effusion Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
330 mg/m3/10M
TOXIC EFFECTS :
Behavioral - irritability Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
330 mg/m3/10M
TOXIC EFFECTS :
Behavioral - irritability Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
500 nmol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,175,1983

 Synthetic Route

~64%

Carbamic acid,(2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI) Structure

Carbamic acid,(...

CAS#:6296-45-3

Literature: Lown, J. William; Joshua, Alummoottil V.; McLaughlin, Larry W. Journal of Medicinal Chemistry, 1980 , vol. 23, # 7 p. 798 - 805

~%

Carbamic acid,(2-chloroethyl)nitroso-, ethyl ester (7CI,8CI,9CI) Structure

Carbamic acid,(...

CAS#:6296-45-3

Literature: Kamiya,S. Chemical and Pharmaceutical Bulletin, 1972 , vol. 20, p. 2497 - 2500

 Precursor & DownStream

Precursor  2

DownStream  0

 Bioassay

View more

Name: Antitumor activity against lymphoid leukemia L1210 cell implanted in mice was measure...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL717475
Name: Antitumor activity against lymphoid leukemia L1210 cell implanted in mice was measure...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL726335
Name: Antitumor activity against lymphoid leukemia L1210 cell implanted in mice was measure...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL723381
Name: Percent ability of compound to produce DNA interstrand cross-links was determined by ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL845520
Name: Antitumor activity against lymphoid leukemia L1210 cell implanted in mice was measure...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL725826
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1

 Synonyms

TL 154
2-Chloroethyl-N-nitrosourethane
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