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Basic Information
CAS No.: 127406-55-7
Name: 4-(Pyridin-3-yl)benzaldehyde
Article Data: 35
Molecular Structure:
Molecular Structure of 127406-55-7 (4-(Pyridin-3-yl)benzaldehyde)
Formula: C12H9NO
Molecular Weight: 183.21
Synonyms: 4-(3-Pyridyl)benzaldehyde;
EINECS: 258-034-9
Density: 1.148 g/cm3
Melting Point: 51.7-53.7 °C
Boiling Point: 350.55 °C at 760 mmHg
Flash Point: 173.674 °C
Appearance: Light yellow powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-22
Safety: 26-36/37/39-22
PSA: 29.96000
LogP: 2.56110
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Chemistry

Product Name: Benzaldehyde, 4-(3-pyridinyl)- (CAS NO.127406-55-7)

Molecular Formula: C12H9NO
Molecular Weight: 183.21g/mol
Mol File: 127406-55-7.mol
Melting Point: 51.7-53.7
Index of Refraction: 1.815 
Molar Refractivity: 58.25 cm3 
Molar Volume: 134.4 cm3  
Surface Tension: 70.5 dyne/cm 
Density: 1.362 g/cm3 
Flash Point: 214.7 °C 
Enthalpy of Vaporization: 71.35 kJ/mol 
Boiling Point: 431.4 °C at 760 mmHg 
Vapour Pressure: 4.78E-08 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Benzaldehyde, 4-(3-pyridinyl)- (CAS NO.127406-55-7):
  IUPAC Name: 4-pyridin-3-ylbenzaldehyde
  Canonical SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)C=O
  InChI: InChI=1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H 
  InChIKey: NXZUVHZZIZHEOP-UHFFFAOYSA-N
Product Categories: C9 to C46; Heterocyclic Building Blocks; Pyridines

Safety Profile

Safety Information of Benzaldehyde, 4-(3-pyridinyl)- (CAS NO.127406-55-7):
Hazard Codes: XiIrritant,XnHarmful
Risk Statements: 36/37/38-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39-22 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S22:Do not breathe dust.
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 Benzaldehyde, 4-(3-pyridinyl)- , its CAS NO. is 127406-55-7, the synonyms are 4-(Pyridin-3-yl)benzaldehyde ; 4-Pyrid-3-ylbenzaldehyde .