Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2,2-Difluorobenzodioxole-5-carboxylic acid

Related Products

Hot Products

Name

2,2-Difluorobenzodioxole-5-carboxylic acid

EINECS 613-828-8
CAS No. 656-46-2 Density 1.66 g/cm3
PSA 55.76000 LogP 1.70630
Solubility N/A Melting Point 178 °C
Formula C8H4F2O4 Boiling Point 266.1 °C at 760 mmHg
Molecular Weight 202.114 Flash Point 114.7 °C
Transport Information N/A Appearance liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 656-46-2 (2,2-Difluorobenzodioxole-5-carboxylic acid) Hazard Symbols IrritantXi
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-;

Article Data 6

2,2-Difluorobenzodioxole-5-carboxylic acid 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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 656-46-2