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1,2-Benzisoxazole

1,2-Benzisoxazole structure

CAS No:
271-95-4
Formula:
C7H5NO
Chemical Name:
1,2-Benzisoxazole
Synonyms:
1,2-Benzisoxazole;Indoxazene;1-Oxa-2-azaindene;1-Oxa-2-aza-1H-indene;Benzo[d]isoxazole;Benzo[1,2-d]isoxazole;1,2-Benzoxazole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

ChEBI: A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5.

1,2-benzoxazole is a benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5. It is a member of 1,2-benzoxazoles and a mancude organic heterobicyclic parent.

1,2-Benzisoxazole Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.12

BRN：

2154

EC Number：

205-983-1

UNII：

D879RKM5NQ

DSSTox ID：

DTXSID20181567

HScode：

2934999090

Characteristics

PSA：

XLogP3：

1.6

Density：

1.1729 g/cm³ @ Temp: 20.4 °C

Melting Point：

139 °C

Boiling Point：

100 °C

Flash Point：

86°C

Refractive Index：

n20/D 1.561(lit.)

Water Solubility：

soluble in water. 4.1 mg/mL in water at 25°C

Storage Conditions：

2-8°C

Vapor Pressure：

0.309mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 161 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,2-benzisoxazole

Computed Properties

Molecular Weight:119.12
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Exact Mass:119.037113783
Monoisotopic Mass:119.037113783
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,2-Benzisoxazole

CAS No.: 271-95-4

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