4-Chloroanisole - CAS 623-12-1

Name: 4-Chloroanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-chloro-4-methoxybenzene
Description:	4-Chloroanisole (CAS# 623-12-1) is often reported as an off-flavor compound which produce an earthy and musty flavors and odors in drinking water. 4-Chloroanisole is an electron-rich chloroarene. A useful research reagent for Ullmann-type homocoupling catalyzed reactions.
Molecular Weight:	142.58
Molecular Formula:	C7H7ClO
Canonical SMILES:	COC1=CC=C(C=C1)Cl
InChI:	InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:	YRGAYAGBVIXNAQ-UHFFFAOYSA-N
Boiling Point:	198-202 °C
Purity:	99 %
Density:	1.164 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00000616
LogP:	2.34860
Vapor Pressure:	0.81 [mmHg]

GHS Hazard Statement:	H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (80%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020229848-A1	Complexes	20191219
WO-2021096496-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20191112
US-2021143330-A1	Functional layer forming ink and self-luminous element manufacturing method	20191111
WO-2021077317-A1	Oligopeptide linker intermediate and preparation method therefor	20191023
WO-2021054459-A1	Benzotriazole compound, light absorber, and resin composition	20190918

PMID	Publication Date	Title	Journal
22738771	20120830	Pd/C-catalyzed dechlorination of polychlorinated biphenyls under hydrogen gas-free conditions	Journal of hazardous materials
20146090	20100901	Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites	Biodegradation
20583042	20100809	Cavity-shaped ligands: calix[4]arene-based monophosphanes for fast Suzuki-Miyaura cross-coupling	Chemistry (Weinheim an der Bergstrasse, Germany)
20334970	20100715	Surface photochemistry of pesticides containing 4-chlorophenoxyl chromophore	Journal of hazardous materials
20527903	20100702	Photochemistry of 4-chlorophenol and 4-chloroanisole adsorbed on MFI zeolites: supramolecular control of chemoselectivity and reactive intermediate dynamics	Organic letters

Complexity:	77
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.0185425
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8