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4837-20-1

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Basic Information
CAS No.: 4837-20-1
Name: 4-(Difluoromethoxy)benzoic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 4837-20-1 (4-(Difluoromethoxy)benzoic acid)
Formula: C8H6F2O3
Molecular Weight: 188.131
Synonyms: 4-(difluoromethoxy)benzoate;
EINECS: -0
Density: 1.371 g/cm3
Melting Point: 169-171 °C(lit.)
Boiling Point: 272.069 °C at 760 mmHg
Flash Point: 118.343 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 46.53000
LogP: 1.98620
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  • 4-(Difluoromethoxy)benzoic acid

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    4-(DIFLUOROMETHOXY)BENZOIC ACID

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Chemistry


IUPAC Name: 4-(Difluoromethoxy)benzoic acid
Empirical Formula: C8H6F2O3
Molecular Weight: 188.1282
Canonical SMILES: C1=CC(=CC=C1C(=O)O)OC(F)F
InChI: InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
InChIKey: BSNNYLYELGBSBA-UHFFFAOYSA-N
XLogP3: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 5 
Melting point: 169-171 °C
Index of Refraction: 1.497
Molar Refractivity: 40.148 cm3
Molar Volume: 137.237 cm3 
Surface Tension: 38.78 dyne/cm
Density: 1.371 g/cm3
Flash Point: 118.343 °C
Enthalpy of Vaporization: 53.91 kJ/mol
Boiling Point: 272.069 °C at 760 mmHg
Vapour Pressure: 0.003 mmHg at 25 °C
Product Categories of 4-(Difluoromethoxy)benzoic acid (CAS NO.4837-20-1): Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass of 4-(Difluoromethoxy)benzoic acid (CAS NO.4837-20-1): IRRITANT

Specification

  4-(Difluoromethoxy)benzoic acid (CAS NO.4837-20-1), its Synonyms are Benzoic acid, 4-(difluoromethoxy)- ; 4-(Difluoromethoxy)benzoic acid 98% ; 4-Difluoromethoxy-benzoic acid .