2-Bromo-5-chloro-m-xylene - CAS 103724-99-8

Catalog:	BB001216
Product Name:	2-Bromo-5-chloro-m-xylene
CAS:	103724-99-8
Synonyms:	2-bromo-5-chloro-1,3-dimethylbenzene; 2-bromo-5-chloro-1,3-dimethylbenzene

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-bromo-5-chloro-1,3-dimethylbenzene
Description:	2-Bromo-5-chloro-m-xylene (CAS# 103724-99-8) is a useful research chemical.
Molecular Weight:	219.51
Molecular Formula:	C8H8BrCl
Canonical SMILES:	CC1=CC(=CC(=C1Br)C)Cl
InChI:	InChI=1S/C8H8BrCl/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChI Key:	CFMPIQSLDJXNPD-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD07780649
LogP:	3.71930

Publication Number	Title	Priority Date
WO-2021076890-A1	INHIBITING HUMAN INTEGRIN Î±4Î²7	20191016
WO-2021076902-A1	INHIBITING HUMAN INTEGRIN Î± 4 Î² 7	20191016
US-11104661-B1	Inhibiting human integrin (Î±-4) (Î²-7)	20191016
WO-2021018826-A1	Cyclic diones as herbicides	20190731
WO-2021018833-A1	Cyclohexanediones as herbicidal compounds	20190731

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GHS Hazard Statement:	H317 (98.89%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.94979
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.94979
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7