CAS No.67468-65-9,4-BENZYL-BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67468-65-9
Name:	4-BENZYL-BENZALDEHYDE
Article Data:	29

Formula:	C₁₄H₁₂O
Molecular Weight:	196.249
Synonyms:	p-Tolualdehyde,a-phenyl- (6CI,7CI);4-Benzylbenzaldehyde;4-Formyldiphenylmethane;p-Benzylbenzaldehyde;apha-Phenyl-p-tolualdehyde;BRN 2251443;
EINECS:	200-589-5
Density:	1.087 g/cm³
Boiling Point:	330.8 °C at 760 mmHg
Flash Point:	175.4 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	17.07000
LogP:	3.08990

Total:28 Page 1 of 1 1

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Specification

The Benzaldehyde,4-(phenylmethyl)-, with the CAS registry number 67468-65-9, is also known as 4-Formyldiphenylmethane. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₁₂O and formula weight is 196.24. What's more, its IUPAC name is 4-benzylbenzaldehyde.

Physical properties of Benzaldehyde,4-(phenylmethyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/BCF (pH 5.5): 337.15; (5)ACD/KOC (pH 5.5): 2243.97; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.606; (11)Molar Refractivity: 62.32 cm³; (12)Molar Volume: 180.5 cm³; (13)Surface Tension: 43.4 dyne/cm; (14)Density: 1.087 g/cm³; (15)Flash Point: 175.4 °C; (16)Enthalpy of Vaporization: 57.34 kJ/mol; (17)Boiling Point: 330.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)C=O
(2)InChI: InChI=1S/C14H12O/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2
(3)InChIKey: DHARILAASAAGJJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	200mg/kg (200mg/kg)		Farmaco, Edizione Scientifica. Vol. 19, Pg. 964, 1964.