6-Chloro-1,3-benzoxazol-2-amine

Basic Information

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CAS Number

52112-68-2

Molecular Formula

C7H5ClN2O

Molecular Weight

168.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

184-185 ºC

Density

1.481±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

145.4℃

Refractive Index

1.5618 (estimate)

SMILES

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C1=CC2=C(C=C1Cl)OC(=N2)N

InChI

InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)

InChIKey

QDMXVLGVKMTTIT-UHFFFAOYSA-N

LogP

2.0633999999999997

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

155

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC 24991
CHEMBL1889525
6-Chloro-benzooxazol-2-ylamine
DTXSID60200125
6-Chloro-2-benzoxazolamine
NSC24991
FT-0655153
BENZOXAZOLE, 2-AMINO-6-CHLORO-
52112-68-2
2-Benzoxazolamine, 6-chloro-
BB 0244038
6-chloro-1,3-benzoxazol-2-amine
HMS3093D21
cid_40237
6-chloranyl-1,3-benzoxazol-2-amine
2-Amino-6-chlorobenzoxazole
AB09701
6-Chlorobenzo[d]oxazol-2-amine
BDBM50356932
AS-31528
SMR001548487
SY005591
AMY20167
EN300-387848
CS-0044511
Ethyl7-Bromoindole-2-Carboxylate
A828931
AKOS000114286
NSC-24991
SCHEMBL9896463
MLS002639031

MDL Number

MFCD01664218

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2)?

6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2) is classified under the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) as a hazardous substance. It is regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, which requires registration for substances above one tonne per year. In the USA, it is subject to FDA and EPA regulations for its use in pharmaceuticals and environmental safety, respectively.

Are there alternatives to 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2) in synthesis?

There are several alternatives to 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2) in synthesis, including 6-aminobenzoxazole and 6-methoxy-1,3-benzoxazol-2-amine. These alternatives offer similar structural and functional properties and can be used in various synthetic routes depending on the desired outcome and availability of reagents.

What is the market or research trend for 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2)?

The market for 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2) is driven by its use in the pharmaceutical industry as an intermediate in the synthesis of anti-inflammatory and anti-tumor drugs. Research trends are focused on exploring its potential in new drug development, particularly in the treatment of diseases such as cancer and inflammatory disorders. Additionally, there is growing interest in its applications in agrochemicals.

How should waste containing 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2) be handled?

Waste containing 6-Chloro-1,3-benzoxazol-2-amine (CAS: 52112-68-2) should be collected in appropriate containers and stored in a well-ventilated area. It should be neutralized using a suitable reagent before disposal to minimize environmental impact. Incineration is a recommended method for disposing of this waste, provided it meets the local environmental regulations. Professional waste disposal services should be used to ensure compliance with all relevant regulations and to safely manage the waste.