Product Name: 2-Chloro-3',4'-dihydroxyacetophenone (CAS NO.99-40-1)
Molecular Formula: C8H7ClO3
Molecular Weight: 186.59g/mol
Mol File: 99-40-1.mol
EINECS: 202-754-8
Melting Point: 174-176 ºC
Boiling point: 418.7 °C at 760 mmHg
Flash Point: 207 °C
Density: 1.444 g/cm3
Surface Tension: 60.8 dyne/cm
Enthalpy of Vaporization: 69.83 kJ/mol
Vapour Pressure: 1.33E-07 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of 2-Chloro-3',4'-dihydroxyacetophenone (CAS NO.99-40-1):
IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone
Canonical SMILES: C1=CC(=C(C=C1C(=O)CCl)O)O
InChI: InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates; FINE Chemical & INTERMEDIATES
Safety Information of 2-Chloro-3',4'-dihydroxyacetophenone (CAS NO.99-40-1):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36
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.
S36:Wear suitable protective clothing.
WGK Germany: 3
2-Chloro-3',4'-dihydroxyacetophenone , its CAS NO. is 99-40-1, the synonym is 4-(Chloroacetyl)catechol .
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