4-Chloro-2-methylphenoxyacetic acid - CAS 94-74-6

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

Catalog:	BB041484
Product Name:	4-Chloro-2-methylphenoxyacetic acid
CAS:	94-74-6
Synonyms:	2-(4-chloro-2-methylphenoxy)acetic acid

Technical Data

IUPAC Name:	2-(4-chloro-2-methylphenoxy)acetic acid
Description:	4-Chloro-2-methylphenoxyacetic acid (CAS# 94-74-6) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	CC1=C(C=CC(=C1)Cl)OCC(=O)O
InChI:	InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	WHKUVVPPKQRRBV-UHFFFAOYSA-N
Boiling Point:	327 °C at 760 mmHg
Melting Point:	118-119 °C
Density:	1.313 g/cm³
Solubility:	Solubility: in water 270 g/l, methanol 340 g/l, benzene 1 g/l /2-Methyl-4-chlorophenoxyacetic acid sodium salt/
Appearance:	White to light brown solid flakes, Crystal powder or liquid
Decomposition:	When heated to decomposition it emits toxic fumes of /hydrogen chloride and nitrogen oxides
MDL:	MFCD00004306
LogP:	2.11180
Stability:	Nonvolatile
Vapor Pressure:	0.0000059 [mmHg]

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, P391, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2021104903-A4	Thifensulfuron-containing oat field weeding composition as well as preparation method and using method thereof	20210804
JP-2021152083-A	Pest control method	20210702
JP-2021152084-A	Pest control method	20210702
JP-2021152085-A	Pest control method	20210702
CN-113461529-A	Preparation method of 2-methyl-4-chlorophenoxyacetic acid isooctyl ester	20210630

PMID	Publication Date	Title	Journal
29321614	20180110	Effects on metabolic parameters in young rats born with low birth weight after exposure to a mixture of pesticides	Scientific reports
25398874	20150801	Surfactant toxicity in a case of (4-chloro-2-methylphenoxy) acetic acid herbicide intoxication	Human & experimental toxicology
25684042	20150501	Effects of currently used pesticides and their mixtures on the function of thyroid hormone and aryl hydrocarbon receptor in cell culture	Toxicology and applied pharmacology
23871939	20131015	Currently used pesticides and their mixtures affect the function of sex hormone receptors and aromatase enzyme activity	Toxicology and applied pharmacology
23124657	20121215	Electrospray ionisation mass spectrometry molecular-level structural characterisation of novel phenoxycarboxylic acid-oligo(3-hydroxybutyrate) conjugates with potential agricultural applications	Rapid communications in mass spectrometry : RCM

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0240218
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.0240218
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6