Products Categories
| CAS No.: | 129931-45-9 |
|---|---|
| Name: | 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C8H3ClF4O2 |
| Molecular Weight: | 242.557 |
| Synonyms: | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoicacid; |
| EINECS: | -0 |
| Density: | 1.599g/cm3 |
| Melting Point: | 89-91°C |
| Boiling Point: | 254.9 °C at 760 mmHg |
| Flash Point: | 108 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 3.19610 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- Total:31 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Benzoic acid,3-chloro-2-fluoro-5-(trifluoromethyl)-, with CAS registry number 129931-45-9, belongs to the following product category: Benzoic acid. It has the systematic name of 3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid. And the chemical formula of this chemical is C8H3ClF4O2.
Physical properties of Benzoic acid,3-chloro-2-fluoro-5-(trifluoromethyl)-: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.94; (8)ACD/KOC (pH 7.4): 3.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 43.05 cm3; (15)Molar Volume: 151.6 cm3; (16)Polarizability: 17.06×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.599 g/cm3; (19)Flash Point: 108 °C; (20)Enthalpy of Vaporization: 52.02 kJ/mol; (21)Boiling Point: 254.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00868 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,3-chloro-2-fluoro-5-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)O)cc(cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H3ClF4O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)
(3)InChIKey: UINXNXRHKMRASA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H3ClF4O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)
(5)Std. InChIKey: UINXNXRHKMRASA-UHFFFAOYSA-N