2-Chloro-1,4-dimethylbenzene - CAS 95-72-7

Name: 2-Chloro-1,4-dimethylbenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-chloro-1,4-dimethylbenzene
Description:	2-Chloro-1,4-dimethylbenzene (CAS# 95-72-7) is a useful research chemical.
Molecular Weight:	140.61
Molecular Formula:	C8H9Cl
Canonical SMILES:	CC1=CC(=C(C=C1)C)Cl
InChI:	InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
InChI Key:	KZNRNQGTVRTDPN-UHFFFAOYSA-N
Boiling Point:	186 °C (lit.)
Melting Point:	2 °C (lit.)
Purity:	95 %
Density:	1.049 g/cm³
Appearance:	A colorless liquid. flash point below 141°f. may be irritating and narcotic in high concentrations. used as a solvent and for making other chemicals and dyes. density about 8.9 lb / gal.
MDL:	MFCD00000564
LogP:	2.95680

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

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WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021124222-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021114310-A1	Micro-nanofluidic chip, preparation method therefor and use thereof	20191214
WO-2021094297-A1	Corrosion-resistant permanent magnet for an intravascular blood pump	20191112
WO-2021074072-A1	Process for the preparation of (2-cyanoethyl (4s)-4-(4-cyano-2-methoxy-phenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-3-carboxylate by racemate separation by means of diastereomeric tartaric acid esters	20191017

PMID	Publication Date	Title	Journal
22510490	20120801	Analysis of vibrational spectra (FT-IR and FT-Raman) and nonlinear optical properties of organic 2-chloro-p-xylene	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22481939	20120101	Oligonucleotide and Parylene Surface Coating of Polystyrene and ePTFE for Improved Endothelial Cell Attachment and Hemocompatibility	International journal of biomaterials

Complexity:	90.6
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