CAS No.132741-30-1,2,4-DIFLUOROMANDELIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132741-30-1
Name:	2,4-DIFLUOROMANDELIC ACID
Article Data:	6

Formula:	C₈H₆F₂O₃
Molecular Weight:	188.131
Synonyms:	α-Hydroxy-2,4-difluorophenylacetic acid;(2,4-Difluorophenyl)(hydroxy)acetic acid;TL8005319;
Density:	1.523 g/cm³
Melting Point:	220-221°C
Boiling Point:	306.464 °C at 760 mmHg
Flash Point:	139.144 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	57.53000
LogP:	1.08280

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Specification

The Benzeneacetic acid,2,4-difluoro-a-hydroxy-, with the CAS registry number 132741-30-1, is also known as 2,4-Difluoromandelic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Miscellaneous. This chemical's molecular formula is C₈H₆F₂O₃and formula weight is 188.13. What's more, its IUPAC name is 2-(2,4-difluorophenyl)-2-hydroxyacetic acid.

Physical properties of Benzeneacetic acid,2,4-difluoro-a-hydroxy- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.78; (4)ACD/LogD (pH 7.4): -2.65; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 38.89 cm³; (15)Molar Volume: 123.5 cm³; (16)Surface Tension: 54.2 dyne/cm; (17)Density: 1.522 g/cm³; (18)Flash Point: 139.1 °C; (19)Enthalpy of Vaporization: 57.76 kJ/mol; (20)Boiling Point: 306.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000336 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)F)C(C(=O)O)O
(2)InChI: InChI=1S/C8H6F2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
(3)InChIKey: RRRQFGNNRJHLNV-UHFFFAOYSA-N