N,N-bis-(2-Chloroethyl)aniline

Modify Date: 2024-01-08 13:34:50

N,N-bis-(2-Chloroethyl)aniline Structure
N,N-bis-(2-Chloroethyl)aniline structure
Common Name N,N-bis-(2-Chloroethyl)aniline
CAS Number 553-27-5 Molecular Weight 218.12300
Density 1.19 g/cm3 Boiling Point 304.1ºC at 760 mmHg
Molecular Formula C10H13Cl2N Melting Point N/A
MSDS N/A Flash Point 137.7ºC

 Names

Name n,n-bis(2-chloroethyl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.19 g/cm3
Boiling Point 304.1ºC at 760 mmHg
Molecular Formula C10H13Cl2N
Molecular Weight 218.12300
Flash Point 137.7ºC
Exact Mass 217.04300
PSA 3.24000
LogP 2.97060
Index of Refraction 1.563

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BW8225000
CHEMICAL NAME :
Aniline, N,N-bis(2-chloroethyl)-
CAS REGISTRY NUMBER :
553-27-5
BEILSTEIN REFERENCE NO. :
0880463
LAST UPDATED :
199612
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C10-H13-Cl2-N
MOLECULAR WEIGHT :
218.14
WISWESSER LINE NOTATION :
G2NR&2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
239 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
80 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
123 mg/kg
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 :
Rodent - mouse
DOSE/DURATION :
500 mg/m3/10M
TOXIC EFFECTS :
Behavioral - irritability Lungs, Thorax, or Respiration - acute pulmonary edema
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
52 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 :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 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 :
Mammal - species unspecified
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
375 mg/kg/35D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
375 mg/kg/15D-I
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified) Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
30 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,78,1984

 Safety Information

Hazard Codes C
HS Code 2921420090

 Synthetic Route

~71%

N,N-bis-(2-Chloroethyl)aniline Structure

N,N-bis-(2-Chlo...

CAS#:553-27-5

Literature: Lin, Song-Wen; Sun, Qi; Ge, Ze-Mei; Wang, Xin; Ye, Jia; Li, Run-Tao Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 3 p. 940 - 943

~91%

N,N-bis-(2-Chloroethyl)aniline Structure

N,N-bis-(2-Chlo...

CAS#:553-27-5

Literature: Chen, Cheng; Wang, Ruyong; Guo, Liangqia; Fu, Nanyan; Dong, Haijun; Yuan, Yaofeng Organic Letters, 2011 , vol. 13, # 5 p. 1162 - 1165

~%

N,N-bis-(2-Chloroethyl)aniline Structure

N,N-bis-(2-Chlo...

CAS#:553-27-5

Literature: EP1679069 A1, ; Page/Page column 41 ;

~0%

N,N-bis-(2-Chloroethyl)aniline Structure

N,N-bis-(2-Chlo...

CAS#:553-27-5

Literature: Romera, Juan L.; Cid, Jose M.; Trabanco, Andres A. Tetrahedron Letters, 2004 , vol. 45, # 48 p. 8797 - 8800

~%

N,N-bis-(2-Chloroethyl)aniline Structure

N,N-bis-(2-Chlo...

CAS#:553-27-5

Literature: Journal of the Chemical Society, , p. 183,184

 Customs

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Lymphoquine
Aniline mustard
Mesylerythrol
Lymphocin
Lymphochin
Lymphoquin
Lymphchin