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Basic Information
CAS No.: 18365-42-9
Name: alpha-Chlorocinnamaldehyde
Molecular Structure:
Molecular Structure of 18365-42-9 (alpha-Chlorocinnamaldehyde)
Formula: C9H7ClO
Molecular Weight: 166.607
Synonyms: Cinnamaldehyde,a-chloro- (6CI,8CI);2-Chloro-3-phenyl-2-propenal;2-Chloro-3-phenylpropenal;
EINECS: 242-237-4
Density: 1.199 g/cm3
Melting Point: 20-22 °C(lit.)
Boiling Point: 107-108oC (3 mmHg)
Flash Point: 130.7oC
Appearance: Light yellow transparent liquid
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26-27-37/39
Transport Information: UN 2810 6.1/PG 2
PSA: 17.07000
LogP: 2.46520
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Chemistry

Molecular Structure of alpha-Chlorocinnamaldehyde (CAS No.18365-42-9):
 
Molecular Formula: C9H7ClO   
Molecular Weight: 166.6043
IUPAC Name: (Z)-2-chloro-3-phenylprop-2-enal  
CAS No: 18365-42-9
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.592
Molar Refractivity: 47.02 cm3
Molar Volume: 138.9 cm3
Surface Tension: 42 dyne/cm
Density: 1.199 g/cm3
Flash Point: 130.7 °C
Enthalpy of Vaporization: 50.39 kJ/mol
Boiling Point: 265.9 °C at 760 mmHg
Vapour Pressure: 0.00889 mmHg at 25°C
Classification Code: Mutation data
InChI: InChI=1/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChIKey: SARRRAKOHPKFBW-TWGQIWQCBY
Std. InChI: InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
Std. InChIKey: SARRRAKOHPKFBW-TWGQIWQCSA-N
Product Categories: Aromatic Aldehydes Derivatives (substituted);Aldehydes;C9;Carbonyl Compounds

Safety Profile

Hazard Codes:IrritantXi,HarmfulXn
Risk Statements:36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements:26-27-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR:UN 2810 6.1/PG 2
WGK Germany:3
RTECS:GD6489990

Specification

  alpha-Chlorocinnamaldehyde (CAS No.18365-42-9), its synonyms are 2-07-00-00281 (Beilstein Handbook Reference) ; 2-Chloro-3-phenyl-2-propenal ; 2-Chlorocinnamaldehyde ; alpha-Chlorocinnamaldehyde