Products Categories
CAS No.: | 147992-34-5 |
---|---|
Name: | 4-(DIFLUOROCHLOROMETHOXY)BENZOIC ACID |
Molecular Structure: | |
Formula: | C8H5ClF2O3 |
Molecular Weight: | 222.57 |
Synonyms: | 4-[Chloro(difluoro)methoxy]benzoic acid;4-(Difluorochloromethoxy)benzoic acid;4-(Chloro-difluoro-methoxy)benzoic acid;4-[Chloro(difluoro)methoxy]benzoic acid; |
Density: | 1.5 g/cm3 |
Melting Point: | 143 °C |
Boiling Point: | 277.3 °C at 760 mmHg |
Flash Point: | 121.5 °C |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 46.53000 |
LogP: | 2.55270 |
What can I do for you?
Get Best Price
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: 17.84×10-24 cm3; (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