2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid supplier

Name
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid
EINECS
CAS No. 126120-85-2
Article Data2
CAS DataBase
Density 1.66 g/cm³
Solubility
Melting Point 202-205 °C
Formula C₈H₄F₂O₄
Boiling Point 260.8 °C at 760 mmHg
Molecular Weight 202.114
Flash Point 111.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms BUTTPARK 29\02-68;2,2-DIFLUORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID;RARECHEM AL BE 0476;2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid, 97+%;2,2-Difluorobenzo[d][1,3]dioxole-4-carboxylic acid;2,3-(Difluoromethylenedioxy)benzoic acid, 4-Carboxy-2,2-difluoro-1,3-benzodioxole
PSA 55.76000
LogP 1.70630

2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid Specification

This chemical is called 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid, and it can also be named as 1,3-benzodioxole-4-carboxylic acid, 2,2-difluoro-. With the molecular formula of C₈H₄F₂O₄, its molecular weight is 202.11. The CAS registry number of this chemical is 126120-85-2.

Other characteristics of the 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 39.33 cm³; (15)Molar Volume: 121.4 cm³; (16)Polarizability: 15.59×10^-24cm³; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.66 g/cm³; (19)Flash Point: 111.5 °C; (20)Enthalpy of Vaporization: 52.66 kJ/mol; (21)Boiling Point: 260.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0061 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cccc2OC(F)(F)Oc12
2.InChI: InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)
3.InChIKey: ZGAQVJDFFVTWJK-UHFFFAOYAS
4.Std. InChI: InChI=1S/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)
5.Std. InChIKey: ZGAQVJDFFVTWJK-UHFFFAOYSA-N

Product Name

2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid

2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid Specification

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