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4-Chloro-1,2-dimethoxybenzene

4-Chloro-1,2-dimethoxybenzene - CAS 16766-27-1

Catalog:	BB076885
Product Name:	4-Chloro-1,2-dimethoxybenzene
CAS:	16766-27-1
Synonyms:	Benzene, 4-chloro-1,2-dimethoxy-; 1,2-Dimethoxy-4-chloro-benzene; 3,4-Dimethoxychlorobenzene; 4-Chloro-2-methoxyphenol, methyl ether; 4-Chloroveratrol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-chloro-1,2-dimethoxybenzene
Molecular Weight:	172.61
Molecular Formula:	C8H9ClO2
Canonical SMILES:	COC1=C(C=C(C=C1)Cl)OC
InChI:	InChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChI Key:	RXJCXGJKJZARAW-UHFFFAOYSA-N
Boiling Point:	237-240°C at 739 Torr
Melting Point:	75°C
Purity:	≥95%
Density:	1.155±0.06 g/cm3 (Predicted)
Appearance:	Liquid
Storage:	Store at RT

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0291072
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0291072
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7