CAS No.64118-84-9,2-[((2',6'-DICHLORO-4'-HYDROXY)PHENYL)AMINO]BENZENEACETIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	64118-84-9
Name:	2-[((2',6'-DICHLORO-4'-HYDROXY)PHENYL)AMINO]BENZENEACETIC ACID
Article Data:	27

Formula:	C₁₄H₁₁Cl₂NO₃
Molecular Weight:	312.152
Synonyms:	4'-Hydroxydiclofenac;2-((2,6-Dichloro-4-hydroxyphenyl)amino)benzeneacetic acid;
EINECS:	200-835-2
Density:	1.52 g/cm³
Melting Point:	178-185 °C dec.
Boiling Point:	432.7 °C at 760 mmHg
Flash Point:	215.5 °C
Appearance:	Light Violet Solid
Hazard Symbols:	T,N
Risk Codes:	25-37/38-41-50/53
Safety:	26-39-45-60-61
Transport Information:	UN 2811 6.1/PG 3
PSA:	69.56000
LogP:	4.14270

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Specification

The CAS register number of 4'-Hydroxydiclofenac is 64118-84-9. It also can be called as Benzeneacetic acid, 2-((2,6-dichloro-4-hydroxyphenyl)amino)- and the IUPAC name about this chemical is 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid. The molecular formula about this chemical is C₁₄H₁₁Cl₂NO₃and the molecular weight is 312.15. It belongs to the following product categories, such as Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals and so on.

Physical properties about 4'-Hydroxydiclofenac are: (1)ACD/LogP: 4.56; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 1.43; (4)ACD/BCF (pH 5.5): 82.19; (5)ACD/BCF (pH 7.4): 1.28; (6)ACD/KOC (pH 5.5): 344.9; (7)ACD/KOC (pH 7.4): 5.37; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å²; (12)Index of Refraction: 1.689; (13)Molar Refractivity: 78.41 cm³; (14)Molar Volume: 205.2 cm³; (15)Polarizability: 31.08x10^-24cm³; (16)Surface Tension: 66.3 dyne/cm; (17)Enthalpy of Vaporization: 72.58 kJ/mol; (18)Boiling Point: 432.7 °C at 760 mmHg; (19)Vapour Pressure: 2.96E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment, it is toxic if swallowed and it is rritating to respiratory system and skin, it also has risk of serious damage to the eyes. When you are using it, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). This material and its container must be disposed of as hazardous waste, you need avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(O)cc(Cl)c2Nc1ccccc1CC(=O)O
(2)InChI: InChI=1/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
(3)InChIKey: KGVXVPRLBMWZLG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
(5)Std. InChIKey: KGVXVPRLBMWZLG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	190mg/kg (190mg/kg)		Scandinavian Journal of Rheumatology. Vol. (Suppl,