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2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene

2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene - CAS 1585-17-7

Catalog:	BB011424
Product Name:	2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene
CAS:	1585-17-7
Synonyms:	2,4-bis(chloromethyl)-1,3,5-trimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	2,4-bis(chloromethyl)-1,3,5-trimethylbenzene
Description:	2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene (CAS# 1585-17-7) is a useful research chemical.
Molecular Weight:	217.13
Molecular Formula:	C11H14Cl2
Canonical SMILES:	CC1=CC(=C(C(=C1CCl)C)CCl)C
InChI:	InChI=1S/C11H14Cl2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4H,5-6H2,1-3H3
InChI Key:	JMNDJDCLOQRCJV-UHFFFAOYSA-N
Boiling Point:	180 °C (20 torr)
Density:	1.121 g/cm³
MDL:	MFCD00013681
LogP:	4.08940

Publication Number	Title	Priority Date
RU-2694261-C1	Method of producing di-n,n'-oxides of 2,4,6-trialkylbenzene-1,3-dicarboxylic acid dinitriles	20180423
AU-2018314833-A1	Novel compounds activating the NRF2 pathway	20170808
AU-2018314833-B2	Novel compounds activating the NRF2 pathway	20170808
CA-3066698-A1	Novel compounds activating the nrf2 pathway	20170808
CN-110997695-A	Novel compounds that activate the Nrf2 pathway	20170808

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0472558
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.0472558
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8