Benzoic acid,4-(chlorodifluoromethoxy)- supplier

Name
4-(DIFLUOROCHLOROMETHOXY)BENZOIC ACID
EINECS
CAS No. 147992-34-5
Density 1.5 g/cm³
Solubility
Melting Point 143 °C
Formula C₈H₅ClF₂O₃
Boiling Point 277.3 °C at 760 mmHg
Molecular Weight 222.57
Flash Point 121.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 4-[Chloro(difluoro)methoxy]benzoic acid;4-(Difluorochloromethoxy)benzoic acid;4-(Chloro-difluoro-methoxy)benzoic acid;4-[Chloro(difluoro)methoxy]benzoic acid;
PSA 46.53000
LogP 2.55270

Benzoic acid,4-(chlorodifluoromethoxy)- Specification

The Benzoic acid,4-(chlorodifluoromethoxy)-, with the CAS registry number 147992-34-5, is also known as 4-(Difluorochloromethoxy)benzoic acid. This chemical's molecular formula is C₈H₅ClF₂O₃ and molecular weight is 222.57. What's more, its systematic name is 4-[Chloro(difluoro)methoxy]benzoic acid.

Physical properties of Benzoic acid,4-(chlorodifluoromethoxy)- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 4.7; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39.38; (8)ACD/KOC (pH 7.4): 1.39; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 45 cm³; (15)Molar Volume: 148.2 cm³; (16)Polarizability: 17.84×10^-24cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 54.48 kJ/mol; (21)Boiling Point: 277.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)O)OC(F)(F)Cl
(2)InChI: InChI=1S/C8H5ClF2O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
(3)InChIKey: MKEUDNOXARFUQW-UHFFFAOYSA-N

Product Name

4-(DIFLUOROCHLOROMETHOXY)BENZOIC ACID

Benzoic acid,4-(chlorodifluoromethoxy)- Specification

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