α2-Chloroisodurene - CAS 1585-16-6

Catalog:	BB011423
Product Name:	α2-Chloroisodurene
CAS:	1585-16-6
Synonyms:	2-(chloromethyl)-1,3,5-trimethylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(chloromethyl)-1,3,5-trimethylbenzene
Description:	α2-Chloroisodurene (CAS# 1585-16-6) is a compound useful in organic synthesis.
Molecular Weight:	168.66
Molecular Formula:	C10H13Cl
Canonical SMILES:	CC1=CC(=C(C(=C1)C)CCl)C
InChI:	InChI=1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3
InChI Key:	UNRGEIXQCZHICP-UHFFFAOYSA-N
Boiling Point:	244.6 °C at 760 mmHg
Density:	1.016 g/cm³
Appearance:	White to light yellow crystal powde
MDL:	MFCD00000901
LogP:	3.35060

Publication Number	Title	Priority Date
TW-202100571-A	Photoinitiator composition comprising acylcarbazole derivative and carbazole oxime ester and application thereof in photocurable composition	20190621
CN-109081809-A	A kind of triangle ligand containing 3,5- dimethyl pyrazole and its synthetic method and application	20180720
TW-201906853-A	Method for preparing bis(indenyl)phosphinic acid decyl ester	20170627
TW-I695840-B	Process for the preparation of bis (acyl) phosphinic acid silyl esters	20170627
CN-106478734-A	A kind of have N-heterocyclic carbine ruthenium compound of pyrazoles sense dough of active anticancer and its preparation method and application	20161018

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0705781
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.0705781
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4