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

Basic Information

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CAS Number

52112-66-0

Molecular Formula

C7H5BrN2O

Molecular Weight

213.03 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

Boiling Point

340.4℃ at 760 mmHg

Density

1.804±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

159.7℃

Refractive Index

1.6500 (estimate)

SMILES

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C1=CC2=C(C=C1Br)OC(=N2)N

InChI

InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)

InChIKey

APUYIVHTTCCVMF-UHFFFAOYSA-N

LogP

2.1725000000000003

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

155

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-Bromo-benzooxazol-2-ylamine
HMS3089J03
FT-0647642
EN300-317163
UNII-V824KCW5W2
6-bromo-1,3-benzoxazol-2-amine
BRN 0127765
6-bromobenzo[d]oxazol-2-amine
SY017659
CHEMBL2139833
2-Amino-6-bromobenzoxazole
APUYIVHTTCCVMF-UHFFFAOYSA-N
Z1269173847
52112-66-0
2-Benzoxazolamine, 6-bromo-
J-507979
SCHEMBL7893733
6-bromobenzo[d]oxazol-2-amine;2-Amino-6-bromobenzoxazole
SMR001548549
MLS002639098
V824KCW5W2
6-bromo-2-Benzoxazolamine
A15614
MFCD01664214
FS-3694
MB01972
AKOS015915524
NSC 26185
4-27-00-04822 (Beilstein Handbook Reference)
CS-W006120
6-bromo-2-aminobenzoxazole

MDL Number

MFCD01664214

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 6-Bromo-1,3-benzoxazol-2-amine (CAS: 52112-66-0)?

6-Bromo-1,3-benzoxazol-2-amine is a crystalline solid with a molecular weight of approximately 220.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and chloroform. The compound is moderately reactive, particularly towards nucleophiles and reducing agents. It can undergo substitution reactions, and its bromine functionality can participate in electrophilic aromatic substitution reactions.

How is 6-Bromo-1,3-benzoxazol-2-amine (CAS: 52112-66-0) typically synthesized?

6-Bromo-1,3-benzoxazol-2-amine is typically synthesized through the bromination of 1,3-benzoxazol-2-one followed by an aminolysis reaction. The bromination step often uses N-bromosuccinimide (NBS) in an organic solvent like dichloromethane. The aminolysis step involves treating the brominated product with an amine in a suitable solvent, such as ethanol or dimethylformamide (DMF).

What industries use 6-Bromo-1,3-benzoxazol-2-amine (CAS: 52112-66-0)?

6-Bromo-1,3-benzoxazol-2-amine finds applications in the pharmaceutical industry for the development of certain drug candidates. It is also utilized in the polymer industry for the synthesis of functionalized polymers. Additionally, it is used in the sensor technology sector for the preparation of specific chemical sensors. Its potential use in semiconductor manufacturing processes is also under investigation.

What precautions should be taken when handling 6-Bromo-1,3-benzoxazol-2-amine (CAS: 52112-66-0)?

When handling 6-Bromo-1,3-benzoxazol-2-amine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to the compound. In case of a spill, it should be immediately cleaned up using the appropriate absorbent material and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.