O-(4-Methylphenyl) carbonochloridothioate

Basic Information

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CAS Number

937-63-3

Molecular Formula

C8H7ClOS

Molecular Weight

186.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

245 °C

Density

1.225 g/mL at 25 °C

Flash Point

205 °F

Solubility

Miscible with common organic solvents.

Refractive Index

n20/D 1.573(lit.)

SMILES

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CC1=CC=C(C=C1)OC(=S)Cl

InChI

InChI=1S/C8H7ClOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3

InChIKey

UNCAXIZUVRKBMN-UHFFFAOYSA-N

LogP

2.897520000000001

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

141

Safety Information

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Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

937-63-3
4-Methylphenyl chlorothioformate
O-p-tolyl carbonochloridothioate
O-(p-Tolyl) chlorothionoformate, >=97.0%
O-4-Methylphenyl chlorothioformate
O-(p-Tolyl) chlorothionoformate, 97%
O-p-Tolyl chlorothioformate
Carbonochloridothioic acid, O-(4-methylphenyl) ester
UNCAXIZUVRKBMN-UHFFFAOYSA-N
o-(4-Methylphenyl) chloridothiocarbonate #
MFCD00014466
p-Tolyl chlorothionoformate
EINECS 213-333-3
O-(4-methylphenyl) chloromethanethioate
NS00039591
AKOS000216108
DTXSID90239549
4-Methylphenylchlorothioformate
FT-0633152
CARBONOCHLORIDOTHIOICACID, O-(4-METHYLPHENYL) ESTER
SCHEMBL2000856
4-Tolyl chlorothionoformate
O-(p-Tolyl) chlorothionoformate
P-TOLYLCHLOROTHIONOFORMATE
p-Tolyl chlorothioformate

MDL Number

MFCD00014466

Customs Code

2930909090

FAQ

What regulatory guidelines apply to O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3)?

O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3) must comply with various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is classified as a toxic and corrosive substance. For European Union markets, it is regulated under REACH, requiring registration, evaluation, and authorization. It is also subject to reporting requirements under the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA).

Are there alternatives to O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3) in synthesis?

Alternative reagents for synthesizing similar functionalities include O-(4-Methylphenyl)carbonate and other chlorothioates. Isomers such as O-(3-Methylphenyl) carbonochloridothioate can also be considered. However, the choice of alternative depends on the specific reaction conditions and desired product properties.

What is the market or research trend for O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3)?

The market for O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3) is niche, primarily used in specialized chemical synthesis. Recent research trends focus on its applications in pharmaceutical intermediates and organic synthesis. Market trends suggest increasing demand, driven by advancements in industrial chemistry and pharmaceutical development. However, cost and regulatory challenges remain significant.

How should waste containing O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3) be handled?

Waste containing O-(4-Methylphenyl) carbonochloridothioate (CAS: 937-63-3) should be collected in a leak-proof container and stored separately. Proper disposal requires incineration or professional waste disposal services. Environmental precautions include ensuring no release to the air or water. Regulatory guidelines must be strictly adhered to, and appropriate personal protective equipment (PPE) should be worn during handling and disposal operations.