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1-CHLOROPHTHALAZINE

1-CHLOROPHTHALAZINE structure

CAS No:
5784-45-2
Formula:
C8H5ClN2
Chemical Name:
1-CHLOROPHTHALAZINE
Synonyms:
NSC 71104;1-Chlorophthalazine;Phthalazine, 1-chloro-;Hydralazine IMpurity 02;1-Chloro-2,3-benzodiazine;Hydralazine Chloro IMpurity;1-ChlorophthalazineDiscontinued See C379660
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Brown Solid

1-CHLOROPHTHALAZINE Basic Attributes

Molecular Weight：

164.592

Exact Mass：

164.01400

UNII：

I1IE9W0S0C

NSC Number：

71104

DSSTox ID：

DTXSID20206547

Characteristics

PSA：

25.8

XLogP3：

2.28320

Appearance：

Brown Solid

Density：

1.349g/cm3

Melting Point：

109-112ºC

Boiling Point：

364.3ºC at 760mmHg

Flash Point：

205.6ºC

Refractive Index：

1.643

Water Solubility：

Insoluble in water. Soluble in dichloromethane, ethanol and methanol.

Storage Conditions：

-20ºC Freezer

Safety Information

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 96 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.59
XLogP3:2.1
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