2-Chloro-4-methylphenol - CAS 6640-27-3

Catalog:	BB033022
Product Name:	2-Chloro-4-methylphenol
CAS:	6640-27-3
Synonyms:	2-chloro-4-methylphenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-4-methylphenol
Description:	2-Chloro-4-methylphenol (CAS# 6640-27-3) is one of eleven estrogenic and odorous chloro- compounds found in surface water.
Molecular Weight:	142.58
Molecular Formula:	C7H7ClO
Canonical SMILES:	CC1=CC(=C(C=C1)O)Cl
InChI:	InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChI Key:	AQJFATAFTQCRGC-UHFFFAOYSA-N
Boiling Point:	195 °C
Purity:	95 %
Density:	1.211 g/mL at 25 °C (lit.)
MDL:	MFCD00070639
LogP:	2.35400

Publication Number	Title	Priority Date
WO-2021063346-A1	Kras g12c inhibitor and application thereof	20190930
WO-2021030711-A1	Alkynyl quinazoline compounds	20190815
WO-2020198537-A1	Modulators of mas-related g-protein receptor x4 and related products and methods	20190328
US-2021032213-A1	Modulators of mas-related g-protein receptor x4 and related products and methods	20190328
WO-2020154350-A1	Imidazo[1,5-a]pyridine, 1,2,4-triazolo[4,3-a]pyridine and imidazo[1,5-a]pyrazine as jak inhibitors	20190123

PMID	Publication Date	Title	Journal
21203302	20080726	N-Benzyl-2-(2-chloro-4-methyl-phen-oxy)acetamide	Acta crystallographica. Section E, Structure reports online
16497524	20061101	Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods	Journal of molecular graphics & modelling
8215795	19930101	Metabolism of 2-chloro-4-methylphenoxyacetate by Alcaligenes eutrophus JMP 134	Archives of microbiology

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Related Functional Groups

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol

GHS Hazard Statement:	H315 (93.33%): 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:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.0185425
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.0185425
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4