2-Chloro-4,5-dimethoxybenzoic acid - CAS 60032-95-3

Name: 2-Chloro-4,5-dimethoxybenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030589
Product Name:	2-Chloro-4,5-dimethoxybenzoic acid
CAS:	60032-95-3
Synonyms:	2-chloro-4,5-dimethoxybenzoic acid; 2-chloro-4,5-dimethoxybenzoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-chloro-4,5-dimethoxybenzoic acid
Description:	2-Chloro-4,5-dimethoxybenzoic acid (CAS# 60032-95-3) is a useful research chemical.
Molecular Weight:	216.62
Molecular Formula:	C9H9ClO4
Canonical SMILES:	COC1=C(C=C(C(=C1)C(=O)O)Cl)OC
InChI:	InChI=1S/C9H9ClO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:	CHMWIAHMSOASPM-UHFFFAOYSA-N
Boiling Point:	326.9 °C at 760 mmHg
Melting Point:	183-185 °C
Purity:	95 %
Density:	1.337 g/cm³
MDL:	MFCD00079727
LogP:	2.05540

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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

Publication Number	Title	Priority Date
CN-105884657-A	Nitrogen Formyloxy-substituted chlorobenzophenone derivative	20160429
AU-2015239548-A1	Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2	20140402
CA-2944370-A1	Amido-substituted azole compounds	20140402
CN-106459015-A	Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2	20140402
EP-3126337-A2	Amido-substituted azole compounds	20140402

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0189365
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.0189365
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2