CAS No.656-46-2,2,2-Difluorobenzodioxole-5-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	656-46-2
Name:	2,2-Difluorobenzodioxole-5-carboxylic acid
Article Data:	6

Formula:	C₈H₄F₂O₄
Molecular Weight:	202.114
Synonyms:	Benzoicacid, 3,4-[(difluoromethylene)dioxy]- (6CI,8CI);2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid;2,2-Difluoro-benzo[1,3]dioxol-5-carboxylicacid;2,2-Difluorobenzodioxole-5-carboxylic acid;Piperonylic acid, a,a-difluoro-;
EINECS:	613-828-8
Density:	1.66 g/cm³
Melting Point:	178 °C
Boiling Point:	266.1 °C at 760 mmHg
Flash Point:	114.7 °C
Appearance:	liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.76000
LogP:	1.70630

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Specification

The 2,2-Difluorobenzodioxole-5-carboxylic acid is an organic compound with the formula C₈H₄F₂O₄. The IUPAC name of this chemical is 2,2-difluoro-1,3-benzodioxole-5-carboxylate. With the CAS registry number 656-46-2, it is also named as 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-. The product's categories are Heterocycles Series; Benzodiozoles, Benzodioxines & Benzodioxepines; Carboxylic Acids. It is liquid which should be kept away from oxidate. In addition, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 2,2-Difluorobenzodioxole-5-carboxylic acid can be summarized as: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 6.78; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 51.59; (8)ACD/KOC (pH 7.4): 1.79; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 39.33 cm³; (14)Molar Volume: 121.4 cm³; (15)Polarizability: 15.59×10^-24 cm³; (16)Surface Tension: 53.3 dyne/cm; (17)Enthalpy of Vaporization: 53.25 kJ/mol; (18)Vapour Pressure: 0.0044 mmHg at 25°C; (19)Exact Mass: 200.99994; (20)MonoIsotopic Mass: 200.99994; (21)Topological Polar Surface Area: 58.6; (22)Heavy Atom Count: 14; (23)Formal Charge: -1; (24)Complexity: 250.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1ccc2OC(F)(F)Oc2c1
2. InChI:InChI=1/C8H4F2O4/c9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8/h1-3H,(H,11,12)
3. InChIKey:VJLDRFCNFNQTTH-UHFFFAOYAD
4. Std. InChI:InChI=1S/C8H4F2O4/c9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8/h1-3H,(H,11,12)
5. Std. InChIKey:VJLDRFCNFNQTTH-UHFFFAOYSA-N