5-Chloro-m-xylene - CAS 556-97-8

Catalog:	BB029137
Product Name:	5-Chloro-m-xylene
CAS:	556-97-8
Synonyms:	1-chloro-3,5-dimethylbenzene; 1-chloro-3,5-dimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-3,5-dimethylbenzene
Description:	5-Chloro-m-xylene (CAS# 556-97-8) is a useful research chemical.
Molecular Weight:	140.61
Molecular Formula:	C8H9Cl
Canonical SMILES:	CC1=CC(=CC(=C1)Cl)C
InChI:	InChI=1S/C8H9Cl/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChI Key:	FKKLHLZFSZGXBN-UHFFFAOYSA-N
Boiling Point:	188.1 °C at 760 mmHg
Density:	1.04 g/cm³
MDL:	MFCD00060273
LogP:	2.95680

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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:	80.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.0392780
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.0392780
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3