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4-Bromo-2-chloro-5-fluorotoluene

4-Bromo-2-chloro-5-fluorotoluene - CAS 93765-83-4

Catalog:	BB041070
Product Name:	4-Bromo-2-chloro-5-fluorotoluene
CAS:	93765-83-4
Synonyms:	1-bromo-5-chloro-2-fluoro-4-methylbenzene; 1-bromo-5-chloro-2-fluoro-4-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-5-chloro-2-fluoro-4-methylbenzene
Description:	4-Bromo-2-chloro-5-fluorotoluene (CAS# 93765-83-4) is a useful research chemical.
Molecular Weight:	223.47
Molecular Formula:	C7H5BrClF
Canonical SMILES:	CC1=CC(=C(C=C1Cl)Br)F
InChI:	InChI=1S/C7H5BrClF/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3
InChI Key:	GYFUSHKOOPPODA-UHFFFAOYSA-N
Boiling Point:	221.1 °C at 760 mmHg
Density:	1.618 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	3.55000

Publication Number	Title	Priority Date
EP-3317279-A1	Triaza-spirodecanones as ddr1 inhibitors	20150703
JP-2018519317-A	Triaza-spirodecanone as a DDR1 inhibitor	20150703
US-10239876-B2	Triaza-spirodecanones as DDR1 inhibitors	20150703
US-10435407-B2	Triaza-spirodecanones as DDR1 inhibitors	20150703
US-2018148450-A1	Triaza-spirodecanones as ddr1 inhibitors	20150703

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.92472
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.92472
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7