5-(Chloromethyl)-6-methyl-1,3-benzodioxole

Basic Information

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CAS Number

117661-72-0

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

280.7±19.0 ºC (760 Torr),

Flash Point

122.4±16.7 ºC,

SMILES

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CC1=CC2=C(C=C1CCl)OCO2

InChI

InChI=1S/C9H9ClO2/c1-6-2-8-9(12-5-11-8)3-7(6)4-10/h2-3H,4-5H2,1H3

InChIKey

POLAVUVVBKLQNP-UHFFFAOYSA-N

LogP

2.4625200000000005

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

163

Synonyms & References

English

SCHEMBL3663402
117661-72-0
5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole
DTXSID60441697
AKOS006372298
5-chloromethyl-6-methylbenzo[d][1,3]dioxole
A893316
3,4-Methylenedioxy-6-methylbenzyl chloride
CS-M1003
5-chloromethyl-6-methyl-benzo[1,3]dioxole
(3,4-methylenedioxy)-6-methylbenzyl chloride
5-chloromethyl-6-methyl-1,3-benzodioxole
5-(chloromethyl)-6-methyl-1,3-benzodioxole
POLAVUVVBKLQNP-UHFFFAOYSA-N
1,3-Benzodioxole,5-(chloromethyl)-6-methyl-
1,3-Benzodioxole,5-(chloromethyl)-6-methyl
4,5-methylenedioxy-2-methylbenzyl chloride
5-(chloromethyl)-6-methylbenzo[1,3]dioxole
6-methyl-1,3-benzodioxol-5-ylmethyl chloride
2875AA
FCH908868
AX8237565
ST24044231

MDL Number

MFCD18642942

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0)?

5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0) is subject to various regulatory guidelines including GHS classification, REACH regulations in the EU, and FDA/EPA requirements in the US. It is classified as a hazardous chemical due to its potential to form carcinogenic products upon chloromethylation. Compliance with these guidelines is crucial for safe handling and disposal.

Are there alternatives to 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0) in synthesis?

Alternatives to 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0) in synthesis include the use of other substituted benzodioxoles or related heterocycles. Common alternatives include 5-(Bromomethyl)-6-methyl-1,3-benzodioxole or 5-(Iodomethyl)-6-methyl-1,3-benzodioxole, which are less hazardous and can be used as safer substitutes in many applications.

What is the market or research trend for 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0)?

The market for 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0) is driven by its applications in pharmaceuticals and organic synthesis. Recent research trends focus on developing safer and more sustainable alternatives due to its hazardous classification. There is a growing emphasis on identifying and utilizing less toxic compounds in place of this chloromethylated derivative.

How should waste containing 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0) be handled?

Waste containing 5-(Chloromethyl)-6-methyl-1,3-benzodioxole (CAS: 117661-72-0) should be handled with caution to prevent environmental contamination. Waste should be collected in appropriate containers and disposed of by incineration or professional waste disposal services certified for hazardous waste. Environmental protection measures include proper containment, neutralization of any chlorinated compounds, and adherence to local and international disposal regulations.