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2,1-BENZISOXAZOLE-3-CARBOXYLICACID

2,1-BENZISOXAZOLE-3-CARBOXYLICACID structure

CAS No:
642-91-1
Formula:
C8H5NO3
Chemical Name:
2,1-BENZISOXAZOLE-3-CARBOXYLICACID
Synonyms:
AKOS BC-0831;Anthroxanic acid;3-Carboxy-2,1-benzisoxazole;Benzo[c]isoxazole-3-carboxylic acid;2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID;2,1-Benzisoxazole-3-carboxylicacid(7CI,8CI,9CI)

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2,1-BENZISOXAZOLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

163.13

Exact Mass：

163.026947

UNII：

OF3RAC7IV3

NSC Number：

86917

DSSTox ID：

DTXSID00214408

HScode：

2934999090

Characteristics

PSA：

63.33000

XLogP3：

1.20

Density：

1.5±0.1 g/cm3

Melting Point：

185 °C

Boiling Point：

387.3±15.0 °C at 760 mmHg

Flash Point：

188.0±20.4 °C

Refractive Index：

1.661

Safety Information

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:163.13
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:163.026943022
Monoisotopic Mass:163.026943022
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,1-BENZISOXAZOLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,1-BENZISOXAZOLE-3-CARBOXYLICACID

SDS

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