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Inherent Properties, Identifiers and References
ChemSpider ID: 21106019
Empirical Formula: C7H5ClO
Molecular Weight: 140.567
Nominal Mass: 140 Da
Average Mass: 140.567 Da
Monoisotopic Mass: 140.002892 Da
Systematic Name: 4-chlorobenzaldehyde
SMILES: O=Cc1ccc(Cl)cc1
InChI: InChI=1/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey: AVPYQKSLYISFPO-UHFFFAOYAQ
Std. InChI: InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
Std. InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N
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User Data

  • experimental physchem properties
    • Melting Point: 45-47
    • Melting Point: 46 C
    • Boiling Point: 213-214
    • Boiling Point: 214 C
    • Flash Point: 87(188F)
    • Flash Point: 88 C
  • miscellaneous
    • Appearance: colourless to light yellow crystalline powder
    • Stability: Stable, but air and light-sensitive. Incompatible with strong bases,strong reducing agents, strong oxidizing agents.
    • Toxicity: ORL-RAT LD50 1575 mg kg-1, ORL-MUS LD50 1400 mg kg-1
    • Safety: WARNING: Irritates skin and eyes, harmful if swallowed
    • Safety: Safety glasses, adequate ventilation.
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

4-Chlorbe​nzaldehyd

4-Chlorob​enzaldehy​de

4-Chlorob​enzaldéhy​de

benzaldeh​yde, 4-ch​loro-

104-88-1 [RN]

203-247-4 [EINECS/ELINCS]

286013-17​-0 [RN]

4-chlorob​enzoic al​dehyde

C052044

PCAD

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: 2.21 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.21 ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 1 Polar Surface Area: 17.07 Å2
Index of Refraction: 1.585 Molar Refractivity: 37.9 cm3
Molar Volume: 113 cm3 Polarizability: 15.02 10-24cm3
Surface Tension: 42.2 dyne/cm Density: 1.243 g/cm3
Flash Point: 87.8 °C Enthalpy of Vaporization: 45 kJ/mol
Boiling Point: 213.7 °C at 760 mmHg Vapour Pressure: 0.162 mmHg at 25°C
Spectra