7-Chloro-4-iodoquinoline - CAS 98591-57-2

Name: 7-Chloro-4-iodoquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB042193
Product Name:	7-Chloro-4-iodoquinoline
CAS:	98591-57-2
Synonyms:	7-chloro-4-iodoquinoline

Technical Data

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Computed Properties

IUPAC Name:	7-chloro-4-iodoquinoline
Description:	7-Chloro-4-iodoquinoline (CAS# 98591-57-2) is used as a quinolinic-isoquinolinic derivative for acting as reversible electrochromes.
Molecular Weight:	289.50
Molecular Formula:	C9H5ClIN
Canonical SMILES:	C1=CC2=C(C=CN=C2C=C1Cl)I
InChI:	InChI=1S/C9H5ClIN/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChI Key:	HUTDAIDVAMQWDX-UHFFFAOYSA-N
Boiling Point:	354.8 °C at 760 mmHg
Density:	1.919 g/cm³
MDL:	MFCD06798120
LogP:	3.49280

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[938459-19-9]C11H10ClNS
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]C13H12ClN
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[13676-02-3]C10H8ClNO
2-Chloro-6-methoxyquinoline
[1031928-21-8]C17H14ClN
2-Chloro-7,8-dimethyl-3-phenylquinoline

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.91552
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.91552
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5