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3,4-DICHLOROBENZOYLACETONITRILE

3,4-DICHLOROBENZOYLACETONITRILE structure

CAS No:
4640-68-0
Formula:
C9H5Cl2NO
Chemical Name:
3,4-DICHLOROBENZOYLACETONITRILE
Synonyms:
3,4-Dichlorobenzoylacetonitrile;3-(3,4-dichlorophenyl)-3-oxopropanenitrile;MFCD00067919;3-(3,4-dichlorophenyl)-3-oxopropionitrile;3-(3,4-dichloro-phenyl)-3-oxo-propionitrile;PubChem12008;ACMC-1ASPW;SCHEMBL133027;CTK3J7719;DTXSID70374149
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,4-DICHLOROBENZOYLACETONITRILE Basic Attributes

Molecular Weight：

214.045

Exact Mass：

212.974823

DSSTox ID：

DTXSID70374149

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

Density：

1.4±0.1 g/cm3

Melting Point：

114 °C

Boiling Point：

398.4°C at 760 mmHg

Flash Point：

194.7±26.5 °C

Refractive Index：

1.568

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:214.04
XLogP3:3
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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CAS No.: 4640-68-0

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3,4-DICHLOROBENZOYLACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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