1,3-Benzodioxole

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

5-Bromo-1,3-benzodioxole
Dichloromethane
1,2-Benzenediol
1,3-Benzodioxole,5-chloro-
Tetrahydroxydiboron
1-Iodo-3,4-methylenedioxybenzene
Triethoxysilane
1,2,4,5-Tetramethylbenzene
Bromochloromethane
Carbon dioxide

DownStream

2,2-bis(2-chloro-2-methylpropyl)-1,3-benzodioxole
Benzo[d][1,3]dioxole-4-carboxylic acid
1,2-Benzenediol
1,2-Dibromo-4,5-methylenedioxybenzene
3-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
5,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzodioxole
8-(BENZO[D][1,3]DIOXOL-5-YL)-1,4-DIOXASPIRO[4.5]DECAN-8-OL
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole
2-(Benzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Heliotropic acid

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

Smooth photocatalytic preparation of 2-substituted 1,3-benzodioxoles.

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 ...