CAS No.4277-29-6,cycloheptanecarbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4277-29-6
Name:	cycloheptanecarbaldehyde
Article Data:	42

Formula:	C₈H₁₄O
Molecular Weight:	126.199
Synonyms:	Formylcycloheptane;
EINECS:	224-279-5
Density:	0.965g/cm³
Boiling Point:	184 °C at 760 mmHg
Flash Point:	58.7 °C
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39
Transport Information:	UN 1989
PSA:	17.07000
LogP:	2.15570

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Specification

The Cycloheptanecarbaldehyde, with CAS registry number 4277-29-6, has the systematic name of cycloheptanecarbaldehyde. Besides this, it is also called Formylcycloheptane. Its molecular weight is 126.1962. And the chemical formula of this chemical is C₈H₁₄O.

Physical properties of Cycloheptanecarbaldehyde: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.18; (6)ACD/BCF (pH 7.4): 44.18; (7)ACD/KOC (pH 5.5): 523.91; (8)ACD/KOC (pH 7.4): 523.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 38.89 cm³; (15)Molar Volume: 130.7 cm³; (16)Polarizability: 15.41×10^-24cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.965 g/cm³; (19)Flash Point: 58.7 °C; (20)Enthalpy of Vaporization: 42.03 kJ/mol; (21)Boiling Point: 184 °C at 760 mmHg; (22)Vapour Pressure: 0.748 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Cycloheptanecarbaldehyde irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC1CCCCCC1
(2)InChI: InChI=1/C8H14O/c9-7-8-5-3-1-2-4-6-8/h7-8H,1-6H2
(3)InChIKey: UGBFRCHGZFHSBC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h7-8H,1-6H2
(5)Std. InChIKey: UGBFRCHGZFHSBC-UHFFFAOYSA-N