1,3-Benzodioxole
Names
[ CAS No. ]:
274-09-9
[ Name ]:
1,3-Benzodioxole
[Synonym ]:
MFCD00005818
EINECS 205-992-0
Methylenedioxy benzene
1,3-Benzodioxole
1,2-Methylenedioxybenzene
3,4-Methylenedioxybenzene
T56 BO DO CHJ
Benzo[d][1,3]dioxole
1,2-(Methylenedioxy)benzene
1,3-benzodioxolan
Methylenedioxybenzene
1,3-Dioxindan
1,3-Dioxaindan
Benzodioxole
Paroxetine Impurity 12
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
173.0±15.0 °C at 760 mmHg
[ Melting Point ]:
-18 °C
[ Molecular Formula ]:
C7H6O2
[ Molecular Weight ]:
122.121
[ Flash Point ]:
55.0±0.0 °C
[ Exact Mass ]:
122.036781
[ PSA ]:
18.46000
[ LogP ]:
2.08
[ Vapour Pressure ]:
1.7±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.558
[ Storage condition ]:
-20°C
[ Water Solubility ]:
0.2 g/100 mL (25 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DA5600000
- CHEMICAL NAME :
- Benzene, 1,2-methylenedioxy-
- CAS REGISTRY NUMBER :
- 274-09-9
- BEILSTEIN REFERENCE NO. :
- 0115506
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H6-O2
- MOLECULAR WEIGHT :
- 122.13
- WISWESSER LINE NOTATION :
- T56 BO DO CHJ
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 :
- 580 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1220 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma Skin and Appendages - hair
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15 gm/kg/60D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302 + H332
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R10;R22
[ Safety Phrases ]:
S23-S24/25-S36/37/39-S26-S16
[ RIDADR ]:
UN 1993 3/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
DA5600000
[ Packaging Group ]:
III
[ Hazard Class ]:
3
[ HS Code ]:
29329970
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2932999099
[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Chemistry 17(2) , 572-9, (2011)
A mild and general method for the synthesis of potentially bioactive 2-substituted-1,3-benzodioxoles is presented. This is based on the photocatalyzed activation of methylene hydrogen atoms in the pre...
Computer graphics analysis of the interaction of alkoxy methylenedioxybenzenes with cytochromes P4501.Toxicol. Lett. 76(1) , 39-45, (1995)
A quantitative structure-activity relationship (QSAR) in a homologous series of alkoxy methylenedioxybenzenes (MDBs) is reported. Measurements of molecular dimensions from computer-generated space-fil...
Synthesis and cytotoxicity of podophyllotoxin analogues modified in the A ring.Eur. J. Med. Chem. 38(1) , 65-74, (2003)
Several podophyllotoxin derivatives lacking the methylenedioxy group or with different functionalization of the A-ring of the cyclolignan skeleton have been prepared and evaluated for their cytotoxic ...