Benzoic acid,3-[bis(2-chloroethyl)amino]-4-methyl-

Modify Date: 2024-02-15 20:09:15

Benzoic acid,3-[bis(2-chloroethyl)amino]-4-methyl- Structure
Benzoic acid,3-[bis(2-chloroethyl)amino]-4-methyl- structure
Common Name Benzoic acid,3-[bis(2-chloroethyl)amino]-4-methyl-
CAS Number 5977-35-5 Molecular Weight 276.15900
Density N/A Boiling Point N/A
Molecular Formula C12H15Cl2NO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C12H15Cl2NO2
Molecular Weight 276.15900
Exact Mass 275.04800
PSA 40.54000
LogP 2.97720

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU1594000
CHEMICAL NAME :
p-Toluic acid, 3-bis(2-chloroethyl)amino-
CAS REGISTRY NUMBER :
5977-35-5
LAST UPDATED :
199707
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H15-Cl2-N-O2
MOLECULAR WEIGHT :
276.18
WISWESSER LINE NOTATION :
QVR D1 CN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Human Leukocyte
DOSE/DURATION :
300 ug/L
REFERENCE :
CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 57,29,1973

 Precursor & DownStream

Precursor  0

DownStream  1

 Synonyms

4-methyl-3,3-N,N-bis(2-chloroethyl)aminobenzoic acid
3-Diaethylchloramino-4-methyl-benzoesaeure
4-Methyl-3<bis(2-chloroaethyl)amino>benzoesaeure
3-(N,N-Bis-<2-chlor-ethyl>-amino)-4-methyl-benzoesaeure
Iob 82
p-Toluic acid,3-bis(2-chloroethyl)amino
4-methyl-3-bis(2-chloroethyl)aminobenzoic acid
3-(Bis(2-chloroethyl)amino)-4-methylbenzoic acid
p-methyl-m-N,N-bis(2-chloroethyl)aminobenzoic acid
3-Di-(2-chlor-ethyl)-amino-4-tolusaeure
Alkyrom
3-Bis(2-chloroethyl)amino-p-toluic acid