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4-Chlorocinnoline

4-Chlorocinnoline structure

CAS No:
5152-84-1
Formula:
C8H5ClN2
Chemical Name:
4-Chlorocinnoline
Synonyms:
Cinnoline,4-chloro-;4-Chlorocinnoline
Categories:
Organic Chemistry > Nitrogen Compounds

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4-Chlorocinnoline Basic Attributes

Molecular Weight：

164.59200

Exact Mass：

164.59

DSSTox ID：

DTXSID10447987

HScode：

2933990090

Characteristics

PSA：

25.78000

XLogP3：

2.28320

Density：

1.35g/cm3

Melting Point：

76-77 °C

Boiling Point：

301.66ºC at 760 mmHg

Flash Point：

164.657ºC

Refractive Index：

1.663

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, P330, 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:164.59
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Exact Mass:164.0141259
Monoisotopic Mass:164.0141259
Topological Polar Surface Area:25.8
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes