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CAS No.: | 657-06-7 |
---|---|
Name: | 2-Chloro-5-(trifluoromethyl)benzoic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H4ClF3O2 |
Molecular Weight: | 224.567 |
Synonyms: | m-Toluicacid, 6-chloro-a,a,a-trifluoro- (7CI,8CI);2-Chloro-5-(trifluoromethyl)benzoic acid; |
Density: | 1.523 g/cm3 |
Melting Point: | 93-96 oC |
Boiling Point: | 270.4 °C at 760 mmHg |
Flash Point: | 117.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 3.05700 |
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Product Name: 2-Chloro-5-(trifluoromethyl)benzoic acid (CAS NO.657-06-7)
Molecular Formula: C8H4ClF3O2
Molecular Weight: 224.56g/mol
Mol File: 657-06-7.mol
Melting Point: 93-96 °C(lit.)
Boiling point: 270.4 °C at 760 mmHg
Flash Point: 117.3 °C
Density: 1.523 g/cm3
Surface Tension: 36.5 dyne/cm
Enthalpy of Vaporization: 53.72 kJ/mol
Vapour Pressure: 0.00338 mmHg at 25°C
XLogP3-AA: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of 2-Chloro-5-(trifluoromethyl)benzoic acid (CAS NO.657-06-7):
IUPAC Name: 2-chloro-5-(trifluoromethyl)benzoic acid
Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)Cl
InChI: InChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey: WLXRKCGYQAKHSJ-UHFFFAOYSA-N
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids
Safety Information of 2-Chloro-5-(trifluoromethyl)benzoic acid (CAS NO.657-06-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant