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CAS No.: | 37777-76-7 |
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Name: | 2-Chloro-6-fluorophenylacetic acid |
Molecular Structure: | |
Formula: | C8H6ClFO2 |
Molecular Weight: | 188.586 |
Synonyms: | 2-Chloro-6-fluorophenylaceticacid;2-Chloro-6-fluorophenylacetic acid; |
EINECS: | 253-661-4 |
Density: | 1.417 g/cm3 |
Melting Point: | 120-123 °C |
Boiling Point: | 287.3 °C at 760 mmHg |
Flash Point: | 127.6 °C |
Appearance: | Off-White to Pale Yellow Crystalline Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-26-37/39 |
PSA: | 37.30000 |
LogP: | 2.10620 |
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The Benzeneaceticacid,2-chloro-6-fluoro-, with the CAS registry number 37777-76-7, is also known as 2-Chloro-6-fluorophenylaceticacid. It belongs to the product categories of Phenylacetic acid series; Aromatic Phenylacetic Acids and Derivatives; Carboxylic Acids; Phenyls & Phenyl-Het; Phenylacetic acid; Aromatics; Intermediates; Carboxylic Acids. Its EINECS number is 253-661-4. This chemical's molecular formula is C8H6ClFO2 and formula weight is 188.58. What's more, its IUPAC name is 2-(2-chloro-6-fluorophenyl)acetic acid.
Physical properties of Benzeneaceticacid,2-chloro-6-fluoro- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.25 cm3; (15)Molar Volume: 133 cm3; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.417 g/cm3; (18)Flash Point: 127.6 °C ; (19) Enthalpy of Vaporization: 55.61 kJ/mol; (20)Boiling Point: 287.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00116 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. Do not breathe dust. You should avoid contact with skin and eyes. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You must wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)O)F
(2)InChI: InChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: GUAIAAXDEJZRBP-UHFFFAOYSA-N