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CAS No.: | 658-93-5 |
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Name: | 3,4-Difluorophenylacetic acid |
Molecular Structure: | |
Formula: | C8H6F2O2 |
Molecular Weight: | 172.131 |
Synonyms: | 2-(3,4-difluorophenyl)acetic acid;2-(3,4-difluorophenyl)acetate;3,4-Difluoro Phenylacetic Acid; |
EINECS: | 211-527-2 |
Density: | 1.373 g/cm3 |
Melting Point: | 46-50 °C(lit.) |
Boiling Point: | 263.8 °C at 760 mmHg |
Flash Point: | 113.3 °C |
Appearance: | beige crystalline needles |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
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3,4-Difluorophenylacetic acid (658-93-5) is called for Benzeneacetic acid, 3,4-difluoro- ; Rarechem AL BO 0250 ; 2-Flurobenzyl alcohol ; 3,4-Difluorophenylacetic acid 98% ; 3,4-Difluorobenzeneacetic acid ; JRD-0217 ; EINECS 211-527-2 ; BBV-213142 ; TL8004675 ,and so on. 3,4-Difluorophenylacetic acid (658-93-5) is usually like beige crystalline needle.
IUPAC Name: 2-(3,4-Difluorophenyl)acetic acid
CAS: 658-93-5
Molecular Formula: C8H6F2O2
Molecular Weight: 172.13
Molecular structure:
EINECS: 211-527-2
Melting point: 46-50 °C(lit.)
BRN: 2577768
ACD/LogD (pH 5.5): 0.07
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 5.64
ACD/KOC (pH 7.4): 1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Index of Refraction: 1.508
Molar Refractivity: 37.35 cm3
Molar Volume: 125.2 cm3
Polarizability: 14.8 10-24cm3
Surface Tension: 42.4 dyne/cm
Density: 1.373 g/cm3
Flash Point: 113.3 °C
Enthalpy of Vaporization: 52.99 kJ/mol
Boiling Point: 263.8 °C at 760 mmHg
Vapour Pressure: 0.00508 mmHg at 25°C
3,4-Difluorophenylacetic acid (658-93-5) is commonly used as pharmaceutical intermediate,pesticide intermediate,and liquid crystal material intermediate.
Hazard Codes: Xi
Risk Statements: 36/37/38 (36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 26-36-37/39 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36: Wear suitable protective clothing 37/39: Wear suitable gloves and eye/face protection)
WGK Germany: 3
Hazard Note: Irritant
Removal in wastewater treatment of 3,4-Difluorophenylacetic acid (658-93-5) can be stated as follows:
Total removal:2.12 percent
Total biodegradation:0.09 percent
Total sludge adsorption:2.02 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)