6-Bromo-2-chloro-4-methylquinoline - CAS 3913-19-7

Catalog:	BB023853
Product Name:	6-Bromo-2-chloro-4-methylquinoline
CAS:	3913-19-7
Synonyms:	6-bromo-2-chloro-4-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-2-chloro-4-methylquinoline
Description:	6-Bromo-2-chloro-4-methylquinoline (CAS# 3913-19-7) is a useful research chemical.
Molecular Weight:	256.53
Molecular Formula:	C10H7BrClN
Canonical SMILES:	CC1=CC(=NC2=C1C=C(C=C2)Br)Cl
InChI:	InChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
InChI Key:	NPDAQPXGOAYKAV-UHFFFAOYSA-N
Boiling Point:	347.6 °C at 760 mmHg
Purity:	96 %
Density:	1.591 g/cm³
MDL:	MFCD06254262
LogP:	3.95910

Publication Number	Title	Priority Date
US-2018177784-A1	Heterocyclic compounds as immunomodulators	20161222
WO-2018119263-A1	Heterocyclic compounds derivatives as pd-l1 internalization inducers	20161222
AU-2017222630-A1	Kinetic hydrate inhibitors for controlling gas hydrate formation in wet gas systems	20160226
CA-3014448-A1	Kinetic hydrate inhibitors for controlling gas hydrate formation in wet gas systems	20160226
EP-3420055-A1	Kinetic hydrate inhibitors for controlling gas hydrate formation in wet gas systems	20160226

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Related Functional Groups

Halides

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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
[4965-34-8]
7-Bromo-2-methylquinoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (97.44%): 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+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.94504
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.94504
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2