1,3-Benzoxazol-6-amine

Basic Information

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CAS Number

177492-52-3

Molecular Formula

C7H6N2O

Molecular Weight

134.14 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

Basic Physical Properties

Melting Point

88 °C

Boiling Point

282.3°Cat760mmHg

Density

1.317

Water Solubility

Slightly soluble in water.

Flash Point

124.5°C

Refractive Index

1.685

SMILES

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C1=CC2=C(C=C1N)OC=N2

InChI

InChI=1S/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2

InChIKey

ZJYIRVSPPOOPCL-UHFFFAOYSA-N

LogP

1.41

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

129

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

6-amino-benzoxazole
A3936
177492-52-3
J-011288
J-519731
AM20061207
FT-0647609
6-benzoxazolamine
MFCD03791187
DTXSID30342743
1,3-Benzoxazol-6-amine #
AKOS005070126
benzo[d]oxazol-6-amine;6-Aminobenzoxazole
Benzooxazol-6-ylamine
EN300-74661
CHEBI:194600
1,3-benzoxazol-6-amine, AldrichCPR
SCHEMBL116288
1,3-Benzoxazol-6-amine
CS-W005476
benzo[d]oxazol-6-amine
6-Aminobenzoxazole
Z385373514
SY031783
2P-046
Benzo[d]oxazol-6-amine
1,3-Benzoxazol-6-Amine
6-Amino-benzoxazole
6-Benzoxazolamine
6-Amino-1,3-benzoxazole
benzooxazol-6-ylamine

MDL Number

MFCD03791187

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 1,3-Benzoxazol-6-amine (CAS: 177492-52-3)?

1,3-Benzoxazol-6-amine (CAS: 177492-52-3) falls under various regulatory guidelines depending on its intended use. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to reporting under the REACH regulations for substances on the EU market. Additionally, it may be regulated by the EPA and FDA for specific applications, including but not limited to medical uses, food additives, and pharmaceuticals.

Are there alternatives to 1,3-Benzoxazol-6-amine (CAS: 177492-52-3) in synthesis?

There are several alternatives to 1,3-Benzoxazol-6-amine (CAS: 177492-52-3) in synthesis, such as 1,3-benzothiazol-6-amine and 1,3-isoindazol-6-amine. These compounds can serve similar functional groups and can be used as substitutes in various synthetic routes, depending on the desired product and reaction conditions.

What is the market or research trend for 1,3-Benzoxazol-6-amine (CAS: 177492-52-3)?

The market for 1,3-Benzoxazol-6-amine (CAS: 177492-52-3) is growing, particularly in the pharmaceutical and agrochemical industries due to its unique chemical properties. Research trends include its use in developing new drugs and pesticides. The demand is closely tied to the development of new applications and the increasing demand for specialized intermediates in the chemical industry.

How should waste containing 1,3-Benzoxazol-6-amine (CAS: 177492-52-3) be handled?

Waste containing 1,3-Benzoxazol-6-amine (CAS: 177492-52-3) should be handled according to local regulations and guidelines. Typically, it should be collected in appropriate containers, labeled, and disposed of through a licensed waste disposal facility. Incineration or professional chemical waste disposal services are recommended to ensure environmental safety and compliance.