N-(benzo[1,3]dioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline

Modify Date: 2025-09-19 13:09:20

N-(benzo[1,3]dioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline Structure
N-(benzo[1,3]dioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline structure
Common Name N-(benzo[1,3]dioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline
CAS Number 53493-61-1 Molecular Weight 332.30800
Density 1.381g/cm3 Boiling Point 524.1ºC at 760 mmHg
Molecular Formula C16H16N2O6 Melting Point N/A
MSDS N/A Flash Point 270.8ºC

 Names

Name N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitroaniline

 Chemical & Physical Properties

Density 1.381g/cm3
Boiling Point 524.1ºC at 760 mmHg
Molecular Formula C16H16N2O6
Molecular Weight 332.30800
Flash Point 270.8ºC
Exact Mass 332.10100
PSA 94.77000
LogP 3.54900
Index of Refraction 1.637
InChIKey YTFKDKVVIUGRQN-UHFFFAOYSA-N
SMILES COc1cc(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF4918800
CHEMICAL NAME :
1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-
CAS REGISTRY NUMBER :
53493-61-1
LAST UPDATED :
199610
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H16-N2-O6
MOLECULAR WEIGHT :
332.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4397864
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJOCAP Indian Journal of Chemistry. (New Delhi, India) V.1-13, 1963-75. Divided into Indian Journal of Chemistry, Section A and Indian Journal of Chemistry, Section B. Volume(issue)/page/year: 12,124,1974
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