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CAS No.: | 51546-12-4 |
---|---|
Name: | 2-Chloro-5-methylsulfanylbenzoic acid |
Molecular Structure: | |
Formula: | C8H7 Cl O2 S |
Molecular Weight: | 202.661 |
Synonyms: | 2-Chloro-5-(methylthio)benzoicacid; 2-Chloro-5-methylsulfanylbenzoic acid |
Density: | 1.42 |
Melting Point: |
136-137 °C(lit.) |
Boiling Point: | 342.4°Cat760mmHg |
Flash Point: | 160.9°C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-36 |
PSA: | 62.60000 |
LogP: | 2.76010 |
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Product Name: 2-Chloro-5-methylsulfanylbenzoic acid (CAS NO.51546-12-4)
Molecular Formula: C8H7ClO2S
Molecular Weight: 202.66g/mol
Mol File: 51546-12-4.mol
Melting Point: 136-137 °C(lit.)
Boiling point: 342.4 °C at 760 mmHg
Flash Point: 160.9 °C
Density: 1.42 g/cm3
Surface Tension: 58.3 dyne/cm
Enthalpy of Vaporization: 61.86 kJ/mol
Vapour Pressure: 2.9E-05 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 2-Chloro-5-methylsulfanylbenzoic acid (CAS NO.51546-12-4):
IUPAC Name: 2-chloro-5-methylsulfanylbenzoic acid
Canonical SMILES: CSC1=CC(=C(C=C1)Cl)C(=O)O
InChI: InChI=1S/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: HJDZJDJRUVAYTR-UHFFFAOYSA-N
Product Categories: C8; Carbonyl Compounds; Carboxylic Acids
Safety Information of 2-Chloro-5-methylsulfanylbenzoic acid (CAS NO.51546-12-4):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3