2-Chloro-3-(2-chloroethyl)-7-bromoquinoline - CAS 948294-53-9

Catalog:	BB041554
Product Name:	2-Chloro-3-(2-chloroethyl)-7-bromoquinoline
CAS:	948294-53-9
Synonyms:	7-bromo-2-chloro-3-(2-chloroethyl)quinoline

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	7-bromo-2-chloro-3-(2-chloroethyl)quinoline
Description:	2-Chloro-3-(2-chloroethyl)-7-bromoquinoline (CAS# 948294-53-9) is a useful research chemical.
Molecular Weight:	305.00
Molecular Formula:	C11H8BrCl2N
Canonical SMILES:	C1=CC(=CC2=NC(=C(C=C21)CCCl)Cl)Br
InChI:	InChI=1S/C11H8BrCl2N/c12-9-2-1-7-5-8(3-4-13)11(14)15-10(7)6-9/h1-2,5-6H,3-4H2
InChI Key:	RAPFUVRBDXXAHY-UHFFFAOYSA-N
Boiling Point:	397.8 °C at 760 mmHg
Density:	1.612 g/cm³
LogP:	4.43200

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Related Functional Groups

Quinoline/Isoquinoline

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[91092-92-1]
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6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[1245816-24-3]
8-(Tributylstannyl)isoquinoline

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.92172
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.92172
Rotatable Bond Count:	2
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7