1-(Chloromethyl)-2-isocyanatobenzene | CAS No. 52986-66-0

1-(Chloromethyl)-2-isocyanatobenzene

Basic Information

CAS Number

52986-66-0

Molecular Formula

C8H6ClNO

Molecular Weight

167.59 g/mol

AD

Basic Physical Properties

Boiling Point

45-47 °C/0.2 mmHg

Density

1.241 g/mL at 25 °C

Refractive Index

n20/D 1.567(lit.)

C1=CC=C(C(=C1)CCl)N=C=O

InChI

InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2

InChIKey

XTYOTPBIDRGAML-UHFFFAOYSA-N

LogP

2.3927000000000005

Topological Polar Surface Area

29.43 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

166

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H312 Harmful in contact with skin
Acute toxicity, dermal
H314 Causes severe skin burns and eye damage
Skin corrosion/irritation
H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

  • 2-(Chloromethyl)phenyl isocyanate
  • FT-0608759
  • W-200410
  • 1-(chloromethyl)-2-isocyanatobenzene
  • 52986-66-0
  • SCHEMBL93414
  • DTXSID30392708
  • 2-(Chloromethyl)phenyl isocyanate, 98%
  • 2-(Chloromethyl)phenylisocyanate
  • GEO-00722
  • MFCD00077427
  • AKOS005257594
  • 2-(chloromethyl)phenyl isocyanate
  • (2-chloromethyl)phenyl isocyanate
  • 1-chloromethyl-2-isocyanato-benzene
  • 2-(3-METHOXY-PHENYL)-BENZOOXAZOL-5-YLAMINE
  • o-chloromethylphenyl isocyanate

MDL Number

MFCD00077427

Customs Code

2929109000

FAQ

What regulatory guidelines apply to 1-(Chloromethyl)-2-isocyanatobenzene (CAS: 52986-66-0)?

1-(Chloromethyl)-2-isocyanatobenzene (CAS 52986-66-0) is subject to various regulatory guidelines, including GHS classification, which categorizes it as a flammable liquid and a skin and eye irritant. It is also regulated under REACH in the European Union, requiring registration for substances above 1 tonne annually. FDA and EPA regulations may apply for its use in pharmaceuticals and environmental applications, respectively, requiring proper handling, storage, and disposal to prevent environmental contamination and ensure worker safety.

Are there alternatives to 1-(Chloromethyl)-2-isocyanatobenzene (CAS: 52986-66-0) in synthesis?

There are several alternatives to 1-(Chloromethyl)-2-isocyanatobenzene (CAS 52986-66-0) in synthesis, including isomers such as 1-chloro-2-(isocyanatomethyl)benzene and 2-chloro-1-(isocyanatomethyl)benzene, as well as other isocyanate derivatives. Common alternative reagents include 1-(bromomethyl)-2-isocyanatobenzene and 1-(trifluoromethyl)-2-isocyanatobenzene, which can serve similar functional groups in various chemical reactions.

What is the market or research trend for 1-(Chloromethyl)-2-isocyanatobenzene (CAS: 52986-66-0)?

The market for 1-(Chloromethyl)-2-isocyanatobenzene (CAS 52986-66-0) is relatively niche, with increasing research trends in its use as a monomer for polymer synthesis and as a precursor in the production of pharmaceuticals and materials with specific functional groups. The demand is influenced by the development of new applications and the need for safer, more environmentally friendly alternatives to traditional isocyanates. Price trends are stable but may fluctuate based on supply chain disruptions and changes in regulatory landscape.

How should waste containing 1-(Chloromethyl)-2-isocyanatobenzene (CAS: 52986-66-0) be handled?

Waste containing 1-(Chloromethyl)-2-isocyanatobenzene (CAS 52986-66-0) should be managed carefully to prevent environmental contamination and ensure worker safety. Collection should be done in compatible containers, and the waste should be disposed of through incineration or professional waste disposal services that comply with local regulations. Environmental protection precautions include proper containment, neutralization of any acidic or basic components, and adherence to guidelines outlined by organizations such as the EPA and OSHA to minimize exposure risks and protect the environment.

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