N-(beta-Bromoethyl)-3,4,5-trimethoxybenzamide

Modify Date: 2025-09-30 19:22:02

N-(beta-Bromoethyl)-3,4,5-trimethoxybenzamide Structure
N-(beta-Bromoethyl)-3,4,5-trimethoxybenzamide structure
Common Name N-(beta-Bromoethyl)-3,4,5-trimethoxybenzamide
CAS Number 91802-17-4 Molecular Weight 318.16400
Density 1.374g/cm3 Boiling Point 372.3ºC at 760 mmHg
Molecular Formula C12H16BrNO4 Melting Point N/A
MSDS N/A Flash Point 178.9ºC

 Names

Name N-(2-bromoethyl)-3,4,5-trimethoxybenzamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.374g/cm3
Boiling Point 372.3ºC at 760 mmHg
Molecular Formula C12H16BrNO4
Molecular Weight 318.16400
Flash Point 178.9ºC
Exact Mass 317.02600
PSA 56.79000
LogP 2.22800
Index of Refraction 1.536
InChIKey ZIKOLQUACPNRLJ-UHFFFAOYSA-N
SMILES COc1cc(C(=O)NCCBr)cc(OC)c1OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV2384000
CHEMICAL NAME :
Benzamide, N-(2-bromoethyl)-3,4,5-trimethoxy-
CAS REGISTRY NUMBER :
91802-17-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-Br-N-O4
MOLECULAR WEIGHT :
318.20

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,319,1964

 Synonyms

Benzamide,N-(2-bromoethyl)-3,4,5-trimethoxy
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