CAS No.6386-63-6,[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6386-63-6
Name:	[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid

Formula:	C₉H₉ClO₄
Molecular Weight:	216.621
Synonyms:	Acetic acid,[4-chloro-2-(hydroxymethyl)- phenoxy]-;(4-Chloro-2-(hydroxymethyl)phenoxy)acetic acid;(4-Chloro-2-hydroxymethylphenoxy)acetic acid;
EINECS:	228-987-5
Density:	1.44 g/cm³
Melting Point:	141 °C
Boiling Point:	391.4 °C at 760 mmHg
Flash Point:	190.5 °C
Hazard Symbols:	Xn,N
Risk Codes:	40-50
Safety:	36/37-61
PSA:	66.76000
LogP:	1.29570

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Specification

The Cloxyfonac, with the CAS registry number 6386-63-6, is also known as (4-Chloro-2-hydroxymethylphenoxy)acetic acid. Its EINECS registry number is 228-987-5. This chemical's molecular formula is C₉H₉ClO₄ and molecular weight is 216.6184. What's more, its IUPAC name is 2-[4-Chloro-2-(hydroxymethyl)phenoxy]acetic acid. This chemical's classification code is Agricultural Chemical.

Physical properties about Cloxyfonac are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 50.47 cm³; (15)Molar Volume: 150.3 cm³; (16)Polarizability: 20×10^-24 cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 67.61 kJ/mol; (21)Boiling Point: 391.4 °C at 760 mmHg; (22)Vapour Pressure: 7.89E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(OCC(=O)O)cc1)CO
(2) InChI: InChI=1/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)
(3) InChIKey: ZJRUTGDCLVIVRD-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	6500mg/kg (6500mg/kg)		"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 200, 1976.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Pesticide Manual. Vol. 9, Pg. 183, 1991.