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4-Amino-β-oxobenzenepropanenitrile

4-Amino-β-oxobenzenepropanenitrile structure

CAS No:
59443-94-6
Formula:
C9H8N2O
Chemical Name:
4-Amino-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,4-amino-β-oxo-;Acetonitrile,(p-aminobenzoyl)-;4-Amino-β-oxobenzenepropanenitrile;(p-Aminobenzoyl)acetonitrile;NSC 93771

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4-Amino-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

160.175

Exact Mass：

160.17

NSC Number：

93771

DSSTox ID：

DTXSID0069331

Characteristics

PSA：

66.88000

XLogP3：

1.94638

Density：

1.203g/cm3

Melting Point：

160 °C

Boiling Point：

414.1ºC at 760 mmHg

Flash Point：

204.2ºC

Refractive Index：

1.592

Toxicity：

Oral-rat LD50: 2263mg/kg; Oral-Mouse LD50: 1600 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

4-Amino-β-oxobenzenepropanenitrile Use and Manufacturing

Manufacturing Info：

Benzenepropanenitrile, 4-amino-.beta.-oxo-: INACTIVE

Computed Properties

Molecular Weight:160.17
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:160.063662883
Monoisotopic Mass:160.063662883
Topological Polar Surface Area:66.9
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Amino-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties

4-Amino-β-oxobenzenepropanenitrile

SDS

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