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7-Chloroquinaldine

7-Chloroquinaldine structure

CAS No:
4965-33-7
Formula:
C10H8ClN
Chemical Name:
7-Chloroquinaldine
Synonyms:
Quinoline,7-chloro-2-methyl-;Quinaldine,7-chloro-;7-Chloro-2-methylquinoline;7-Chloroquinaldine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to light yellow crystal powder

7-Chloroquinaldine Basic Attributes

Molecular Weight：

177.63

Exact Mass：

177.63

EC Number：

440-600-3

DSSTox ID：

DTXSID0057752

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

3.2

Density：

1.2±0.1 g/cm3

Melting Point：

74.5-76 °C

Boiling Point：

280-282 °C @ Press: 761 Torr

Flash Point：

148.7±7.4 °C

Refractive Index：

1.635

Safety Information

Hazard category：

IRRITANT

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 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

7-Chloroquinaldine Use and Manufacturing

General procedure: A 50 mL round-bottom flask equipped with acondenser and a Teflon-coated stirrer bar was charged with a solution ofaniline (1 mmol) in acetonitrile (5 mL) catalyst 1 (10 mol percent) and vinyl ether(3 mmol) was added and the mixture was heated in air at 80 C for the time asmentioned in Table 1. The progress of the reaction was monitored by TLC. Thesolvent was removed under reduced pressure, and the products were isolatedby column chromatography on silica gel (hexane/ethyl acetate) to giveproduct. The structures of the products were confirmed by comparison withreported spectroscopic data.

Computed Properties

Molecular Weight:177.63
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Exact Mass:177.0345270
Monoisotopic Mass:177.0345270
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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