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2,4-Dichloro-β-oxobenzenepropanenitrile

2,4-Dichloro-β-oxobenzenepropanenitrile structure

CAS No:
39528-61-5
Formula:
C9H5Cl2NO
Chemical Name:
2,4-Dichloro-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,2,4-dichloro-β-oxo-;2,4-Dichloro-β-oxobenzenepropanenitrile;2,4-Dichlorobenzoylacetonitrile;2,4-Dichlorophenacyl cyanide;3-(2,4-Dichlorophenyl)-3-oxopropanenitrile

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2,4-Dichloro-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

214.05

Exact Mass：

214.05

DSSTox ID：

DTXSID10545452

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

2.09

Density：

1.4±0.1 g/cm3

Boiling Point：

350.7±32.0 °C at 760 mmHg

Flash Point：

165.9±25.1 °C

Refractive Index：

1.568

Safety Information

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, P321, P322, P330, P332+P313, P337+P313, P362, 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:214.04
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:212.9748192
Monoisotopic Mass:212.9748192
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Dichloro-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,4-Dichloro-β-oxobenzenepropanenitrile

SDS

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