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3-(4-Nitrophenyl)-3-oxopropanenitrile

3-(4-Nitrophenyl)-3-oxopropanenitrile structure

CAS No:
3383-43-5
Formula:
C9H6N2O3
Chemical Name:
3-(4-Nitrophenyl)-3-oxopropanenitrile
Synonyms:
AKOS93603;4-NITROBENZOYLACETONITRILE;3-(4-nitrophenyl)-3-oxopropane;Benzenepropanenitrile,4-nitro-b-oxo-;3-(4-NITROPHENYL)-3-OXOPROPANENITRILE;3-(4-NITRO-PHENYL)-3-OXO-PROPIONITRILE

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3-(4-Nitrophenyl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

190.156

Exact Mass：

190.037842

DSSTox ID：

DTXSID70343678

HScode：

2926909090

Characteristics

PSA：

86.68000

XLogP3：

0.73

Density：

1.3±0.1 g/cm3

Boiling Point：

387.1±22.0 °C at 760 mmHg

Flash Point：

187.9±22.3 °C

Refractive Index：

1.578

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, 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:190.16
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:190.03784206
Monoisotopic Mass:190.03784206
Topological Polar Surface Area:86.7
Heavy Atom Count:14
Complexity:278
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-Nitrophenyl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-(4-Nitrophenyl)-3-oxopropanenitrile

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