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1,3-Dichloroisoquinoline

1,3-Dichloroisoquinoline structure

CAS No:
7742-73-6
Formula:
C9H5Cl2N
Chemical Name:
1,3-Dichloroisoquinoline
Synonyms:
Isoquinoline,1,3-dichloro-;1,3-Dichloroisoquinoline;NSC 170843
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White to brown crystalline powder

1,3-Dichloroisoquinoline Basic Attributes

Molecular Weight：

198.05

Exact Mass：

198.05

EC Number：

1592732-453-0

NSC Number：

170843

DSSTox ID：

DTXSID20305468

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

Appearance：

white to brown crystalline powder

Density：

1.4±0.1 g/cm3

Melting Point：

123 °C

Boiling Point：

307°C(lit.)

Flash Point：

182.6±7.9 °C

Refractive Index：

1.661

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.05
XLogP3:4
Hydrogen Bond Acceptor Count:1
Exact Mass:196.9799046
Monoisotopic Mass:196.9799046
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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