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CAS No.: 99-40-1
Name: 2-Chloro-3',4'-dihydroxyacetophenone
Article Data: 37
Molecular Structure:
Molecular Structure of 99-40-1 (2-Chloro-3',4'-dihydroxyacetophenone)
Formula: C8H7ClO3
Molecular Weight: 186.595
Synonyms: 3,4-Dihydroxy-2'-chloroacetophenone;Acetophenone,2-chloro-3',4'-dihydroxy- (6CI,7CI,8CI);Acetophenone, a-chloro-3,4-dihydroxy- (3CI);1-Chloroacetyl-3,4-dihydroxybenzene;2-Chloro-1-(3,4-dihydroxyphenyl)-1-ethanone;2-Chloro-1-(3,4-dihydroxyphenyl)ethanone;3,4-Dihydroxyphenacyl chloride;4-(Chloroacetyl)catechol;a-Chloro-3',4'-dihydroxyacetophenone;
EINECS: 202-754-8
Density: 1.444 g/cm3
Melting Point: 174-176 °C(lit.)
Boiling Point: 418.7 °C at 760 mmHg
Flash Point: 207 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39-36
PSA: 57.53000
LogP: 1.51930
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Chemistry

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 Profile

Safety Information of 2-Chloro-3',4'-dihydroxyacetophenone (CAS NO.99-40-1):
Hazard Codes: XiIrritant
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 

Specification

 2-Chloro-3',4'-dihydroxyacetophenone , its CAS NO. is 99-40-1, the synonym is 4-(Chloroacetyl)catechol .