2-(2,5-Dichlorophenyl)acetic Acid - CAS 5398-79-8

Catalog:	BB028440
Product Name:	2-(2,5-Dichlorophenyl)acetic Acid
CAS:	5398-79-8
Synonyms:	2-(2,5-dichlorophenyl)acetic acid; 2-(2,5-dichlorophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(2,5-dichlorophenyl)acetic acid
Description:	2-(2,5-Dichlorophenyl)acetic Acid (CAS# 5398-79-8) is a useful research chemical.
Molecular Weight:	205.04
Molecular Formula:	C8H6Cl2O2
Canonical SMILES:	C1=CC(=C(C=C1Cl)CC(=O)O)Cl
InChI:	InChI=1S/C8H6Cl2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:	GWTUGCOXTFFBMM-UHFFFAOYSA-N
Boiling Point:	322.5 °C at 760 mmHg
Density:	1.456 g/cm³
MDL:	MFCD02664807
LogP:	2.62050

Publication Number	Title	Priority Date
CN-110343089-A	Benzimidazole derivative and pharmaceutical use thereof	20180402
AU-2017298644-A1	Novel benzylamide compound, method for producing the same, and miticide	20160718
CA-3031173-A1	Novel benzylamide compound, method for producing the same, and miticide	20160718
CN-109803956-A	Novel benzamide compounds, preparation method and acaricide	20160718
EP-3484855-A1	Novel benzylamide compound, method for producing the same, and miticide	20160718

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.9744848
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.9744848
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6