CAS No.665-31-6,2,2-DIFLUOROSUCCINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	665-31-6
Name:	2,2-DIFLUOROSUCCINIC ACID
Article Data:	6

Formula:	C₄H₄F₂O₄
Molecular Weight:	154.07
Synonyms:	Succinicacid, 2,2-difluoro- (6CI,7CI,8CI);2,2-Difluorosuccinate;2,2-Difluorosuccinicacid;a,a-Difluorosuccinic acid;
EINECS:	211-558-1
Density:	2.051g/cm³
Melting Point:	144-145°C
Boiling Point:	227.5 °C at 760 mmHg
Flash Point:	91.4 °C
Solubility:	Soluble in water.
Hazard Symbols:	CXi
Risk Codes:	34
Safety:	26-36/37/39-45-28-27
Transport Information:	UN 3265
PSA:	74.60000
LogP:	0.18100

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Specification

The 2,2-Difluorosuccinic acid, with CAS registry number 665-31-6, has the systematic name of 2,2-difluorobutanedioic acid. And its IUPAC name is the same one. Besides this, it is also called butanedioic acid, 2,2-difluoro-. And the chemical formula of this chemical is C₄H₄F₂O₄.

Physical properties about this chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.82; (4)ACD/LogD (pH 7.4): -3.85; (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: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 24 cm³; (15)Molar Volume: 94.7 cm³; (16)Polarizability: 9.51×10^-24cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Enthalpy of Vaporization: 51.13 kJ/mol; (19)Vapour Pressure: 0.0278 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2,3,3-trifluoro-cyclobutene. This reaction will need reagent aqueous NaOH-solution, potassium permanganate.

Uses of 2,2-Difluorosuccinic acid: it can be used to produce fluoro-fumaric acid. This reaction will need reagent NaOH and solvent H₂O. The reaction time is 19 hour(s). The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
The 2,2-Difluorosuccinic acid may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. And after use this chemical, please take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(F)(F)C(=O)O
(2)InChI: InChI=1/C4H4F2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)
(3)InChIKey: ZYLFHISLYSHWRH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H4F2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)
(5)Std. InChIKey: ZYLFHISLYSHWRH-UHFFFAOYSA-N