5-Nitro-1,2-benzoxazole

Basic Information

View in Editor

CAS Number

39835-28-4

Molecular Formula

C7H4N2O3

Molecular Weight

164.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

321.7°C at 760 mmHg

SMILES

View in Editor

C1=CC2=C(C=C1[N+](=O)[O-])C=NO2

InChI

InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H

InChIKey

TWOYWCWKYDYTIP-UHFFFAOYSA-N

LogP

2.25920

Complexity

192

Safety Information

View Safety Information

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

C7H4N2O3
5-Nitro-1 pound not2-benzisoxazole
5-NITROBENZO[D]ISOXAZOLE
DTXSID00192898
SY031940
5-nitro-1,2-benzoxazole
MFCD06659648
AKOS006292614
AB26014
5-Nitro-1,2-benzisoxazole
FT-0649738
AC-27284
5-Nitro-benzo[d]isoxazole
A873553
SCHEMBL4075158
TWOYWCWKYDYTIP-UHFFFAOYSA-N
CS-W022419
H5J
CHEMBL313378
39835-28-4
GS-4282
J-517852
5-Nitrobenzisoxazole
5-nitro benzisoxazole
5-Nitro-1,2-benzoxazole
5-Nitroindoxazene
STL556596
BBL102789
FCH853216
ST2412114
AX8104961

MDL Number

MFCD06659648

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Nitro-1,2-benzoxazole (CAS: 39835-28-4)?

5-Nitro-1,2-benzoxazole (CAS: 39835-28-4) is a crystalline solid with a molecular weight of approximately 181.13 g/mol. It has a melting point of 242-244°C and is slightly soluble in water. This compound is relatively stable but can react with strong bases and reducing agents. It is used as a precursor in organic synthesis and in the preparation of other nitrogen-containing heterocycles.

How is 5-Nitro-1,2-benzoxazole (CAS: 39835-28-4) typically synthesized?

5-Nitro-1,2-benzoxazole can be synthesized by nitration of 1,2-benzoxazole. The reaction typically involves treating 1,2-benzoxazole with a mixture of nitric acid and sulfuric acid under controlled conditions. The yield is around 75-85%, and the product can be purified by recrystallization.

What industries use 5-Nitro-1,2-benzoxazole (CAS: 39835-28-4)?

5-Nitro-1,2-benzoxazole (CAS: 39835-28-4) is primarily used in the pharmaceutical and chemical industry as a precursor for the synthesis of other compounds. It is also used in the preparation of semiconductors and as a component in some polymer formulations for its electronic properties and stability.

What precautions should be taken when handling 5-Nitro-1,2-benzoxazole (CAS: 39835-28-4)?

When handling 5-Nitro-1,2-benzoxazole (CAS: 39835-28-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle it in a well-ventilated area or fume hood to avoid inhalation. In case of a spill, neutralize with an appropriate acid or base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed safety information.