2-Chloro-1,3-benzoxazole

Basic Information

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CAS Number

615-18-9

Molecular Formula

C7H4ClNO

Molecular Weight

153.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

7°C

Boiling Point

202°C

Density

1.345 g/mL at 25 °C

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.566(lit.)

SMILES

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C1=CC=C2C(=C1)N=C(O2)Cl

InChI

InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

InChIKey

BBVQDWDBTWSGHQ-UHFFFAOYSA-N

LogP

2.4812000000000003

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

131

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

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

Sensitiveness

Sensitive to air

Synonyms & References

English

FS-3177
2-chloro-benzoxazole
AM20060856
EN300-27567
CHEMBL4575218
DTXSID5060643
NS00034713
2-chlorobenzo[d]oxazole
2-Chloro-1,3-benzoxazole #
BP-13047
T2U
2-chloro-1,3-benzooxazole
F3284-7644
BENZOXAZOLE, 2-CHLORO-
2-chlorobenzooxazole
AB00524
2-Chloro-1,3-benzoxazole
Z235343929
EINECS 210-414-5
W-105144
CS-0030558
SCHEMBL9430597
SCHEMBL105029
MFCD00005766
(z)-3-trimethylsiloxy-2-pentene
BRN 0115982
2-Chlorobenzoxazole, 99%
NSC8439
BCP27388
NSC-8439
UNII-OFH5RW45PA

MDL Number

MFCD00005766

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Chloro-1,3-benzoxazole (CAS: 615-18-9)?

2-Chloro-1,3-benzoxazole (CAS: 615-18-9) is a crystalline solid with a molecular weight of approximately 164.58 g/mol. It has a high solubility in organic solvents such as dichloromethane and acetone. Chemically, it is relatively stable but can undergo electrophilic aromatic substitution reactions. It is moderately reactive and can be used in various synthetic routes.

How is 2-Chloro-1,3-benzoxazole (CAS: 615-18-9) typically synthesized?

2-Chloro-1,3-benzoxazole (CAS: 615-18-9) is commonly synthesized by the condensation of 3-chlorobenzaldehyde with oxamide. The process involves heating the mixture under reflux to promote the formation of the oxazole ring. Other methods include the reaction of benzoyl chloride with chlorobenzene in the presence of a base, yielding a high yield of the product.

What industries use 2-Chloro-1,3-benzoxazole (CAS: 615-18-9)?

2-Chloro-1,3-benzoxazole (CAS: 615-18-9) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of dyes and pigments, as well as in the development of materials for sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 2-Chloro-1,3-benzoxazole (CAS: 615-18-9)?

When handling 2-Chloro-1,3-benzoxazole (CAS: 615-18-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using the appropriate absorbent materials, and the area should be thoroughly rinsed. Refer to the safety data sheet (SDS) for detailed handling and disposal instructions.