2,1-BENZISOXAZOLE

Name: 2,1-BENZISOXAZOLE
Brand: Zhengzhou Whchem

CAS：271-58-9 | 2,1-BENZISOXAZOLE | Whchem

CAS: 271-58-9

Other Names

ANTHRANIL;2,1-BENZISOXAZOLE;benz(c)isoxazole;BENZO[D]ISOXAZOLE;BENZISOXAZOLE;2,1-Benzisoxazole,99%;2,1-BenzisoxazoleAnthranil;benzo[c]isoxazole

Molecular Formula

Purity

>98%

Molecular Weight

119.12 g/mol

EINECS

205-980-5

Structure Available Verified Product

English Name	2,1-BENZISOXAZOLE
English Synonyms	ANTHRANIL;2,1-BENZISOXAZOLE;benz(c)isoxazole;BENZO[D]ISOXAZOLE;BENZISOXAZOLE;2,1-Benzisoxazole,99%;2,1-BenzisoxazoleAnthranil;benzo[c]isoxazole
CAS Number	271-58-9
Molecular Formula	C7H5NO
Molecular Weight	119.12 g/mol
EINECS Number	205-980-5
Related Categories
Mol File	Download MOL File
Structure Image

Property	Value
Melting point	<-18.15°C
Boiling point	101-102 °C / 15 mmHg (lit.)
Density	1.183 g/mL at 25 °C (lit.)
Refractive index	n20/D 1.584 (lit.)
Flash point	201 °F
Storage condition	Inert atmosphere, Room Temperature
Acidity Coefficient (pKa)	-2.03±0.30 (Predicted)
Form	Liquid
Color	Clear yellow to brownish-red
InChI	InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChIKey	FZKCAHQKNJXICB-UHFFFAOYSA-N
SMILES	N1=C2C(C=CC=C2)=CO1

2,1-BENZISOXAZOLE (CAS 271-58-9) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides 2,1-BENZISOXAZOLE with >98% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods Application: Benzisoxazole (Benzamide imidic acid) is commonly used as the core structure of other compounds. For example, 3-methylbenzisoxazole (benzamide imidic acid) can be used as a pharmaceutical synthesis intermediate. Overview: Benzisoxazole (benzamide imidic acid) is a class of benzo-fused heterocyclic compounds containing adjacent oxygen and nitrogen atoms. They exhibit high biological activity and pharmaceutical properties. Benzisoxazole derivatives are widely present in pharmaceuticals with properties such as tranquilizing, antitumor, anticonvulsant, antimicrobial, antithrombotic, and cholinesterase inhibition. Traditional synthesis methods for benzisoxazole compounds require strongly acidic conditions and large amounts of organic bases, making the experimental procedures complex and causing significant environmental pollution during post-treatment. In 2010, the Larock research group reported the synthesis of benzisoxazole derivatives via a [3+2] cycloaddition reaction using chlorinated oximes and o-trimethylsilyl aryl triflates as starting materials, with cesium fluoride as an inducer to generate benzyne and nitrile oxide in situ. Although this method can afford benzisoxazole derivatives in relatively high yields, the starting materials are complex and require multi-step synthesis, thus limiting its practical application. In summary, research and development of low-cost and convenient preparation methods for benzisoxazole compounds hold good application prospects.

Category

Description (English Translation)

Uses & Synthesis Methods

Application: Benzisoxazole (Benzamide imidic acid) is commonly used as the core structure of other compounds. For example, 3-methylbenzisoxazole (benzamide imidic acid) can be used as a pharmaceutical synthesis intermediate.

Overview: Benzisoxazole (benzamide imidic acid) is a class of benzo-fused heterocyclic compounds containing adjacent oxygen and nitrogen atoms. They exhibit high biological activity and pharmaceutical properties. Benzisoxazole derivatives are widely present in pharmaceuticals with properties such as tranquilizing, antitumor, anticonvulsant, antimicrobial, antithrombotic, and cholinesterase inhibition.

Traditional synthesis methods for benzisoxazole compounds require strongly acidic conditions and large amounts of organic bases, making the experimental procedures complex and causing significant environmental pollution during post-treatment. In 2010, the Larock research group reported the synthesis of benzisoxazole derivatives via a [3+2] cycloaddition reaction using chlorinated oximes and o-trimethylsilyl aryl triflates as starting materials, with cesium fluoride as an inducer to generate benzyne and nitrile oxide in situ. Although this method can afford benzisoxazole derivatives in relatively high yields, the starting materials are complex and require multi-step synthesis, thus limiting its practical application. In summary, research and development of low-cost and convenient preparation methods for benzisoxazole compounds hold good application prospects.

Category	Value
Hazard Symbol	Xn
Hazard Codes (R Phrases)	22
Safety Codes (S Phrases)	24/25-25-24
WGK Germany	3
HS Code (Customs)	29349990
Storage Category	10 - Flammable liquids
Hazard Classification	Acute Toxicity Category 4 (Oral)

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2,1-BENZISOXAZOLE

CAS：271-58-9 | 2,1-BENZISOXAZOLE | Whchem

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