3,5-Dichlorotoluene - CAS 25186-47-4

Catalog:	BB018789
Product Name:	3,5-Dichlorotoluene
CAS:	25186-47-4
Synonyms:	1,3-dichloro-5-methylbenzene; 1,3-dichloro-5-methylbenzene

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Computed Properties

IUPAC Name:	1,3-dichloro-5-methylbenzene
Description:	3,5-Dichlorotoluene (CAS# 25186-47-4) is a common chemical reactant used in the synthesis of various pharmaceuticals and biological agents. Used in the preparation of pyrazole amide derivatives as RORγ inhibitors as well as cross coupling reactions.
Molecular Weight:	161.03
Molecular Formula:	C7H6Cl2
Canonical SMILES:	CC1=CC(=CC(=C1)Cl)Cl
InChI:	InChI=1S/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChI Key:	RYMMNSVHOKXTNN-UHFFFAOYSA-N
Boiling Point:	203.4 °C at 760 mmHg
Density:	1.242 g/cm³
LogP:	3.30180

Publication Number	Title	Priority Date
WO-2021127282-A1	Substituted 1,2, 4-triazoles and methods of use	20191218
WO-2021069705-A1	Isoindolinone compounds	20191009
WO-2021041927-A1	Aryl and pyridyl amide pesticides and compositions thereof	20190828
WO-2021028570-A1	2-hydroxycycloalkane-1-carbamoyl derivatives	20190815
WO-2021027943-A1	Pyrimidinopyridazinone derivative and medical use thereof	20190814

PMID	Publication Date	Title	Journal
17630683	20070806	Substituent effects on the structures of silver complexes with monoazatrithia-12-crown-4 ethers bearing substituted aromatic rings	Inorganic chemistry
16673034	20060514	Synthesis of diazahexathia-24-crown-8 derivatives and structures of Ag+ complexes	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Halides

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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
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[73084-03-4]
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2-Bromo-1-nitronaphthalene

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	82.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.9846556
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.9846556
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5