Cycloheptanecarbonitrile,1-(acetyloxy)- supplier

Name
1-CYANOCYCLOHEPTYL ACETATE
EINECS
CAS No. 71172-45-7
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅NO₂
Boiling Point 265.6 °C at 760 mmHg
Molecular Weight 181.23
Flash Point 129.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cycloheptanecarbonitrile,1-hydroxy-, acetate (6CI);1-Cyanocycloheptyl acetate;BRN 3253210;AC1L1AR4;1-Hydroxycycloheptanecarbonitrile acetate;Cycloheptanecarbonitrile, 1-hydroxy-, acetate;AC1L1AR4;CID51257;
PSA 50.09000
LogP 2.16608

Cycloheptanecarbonitrile,1-(acetyloxy)- Specification

The Cycloheptanecarbonitrile,1-(acetyloxy)- with CAS registry number of 71172-45-7 is also known as 1-Hydroxycycloheptanecarbonitrile acetate. The IUPAC name is (1-Cyanocycloheptyl) acetate. In addition, the formula is C₁₀H₁₅NO₂ and the molecular weight is 181.23.

Physical properties about Cycloheptanecarbonitrile,1-(acetyloxy)- are: (1)ACD/LogP: 1.75 ; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)ACD/BCF (pH 5.5): 12.68; (5)ACD/BCF (pH 7.4): 12.68; (6)ACD/KOC (pH 5.5): 214.36; (7)ACD/KOC (pH 7.4): 214.36; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.09Å²; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 48.11 cm³; (13)Molar Volume: 172.9 cm³; (14)Polarizability: 19.07×10^-24cm³; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.04 g/cm³; (17)Flash Point: 129.3 °C; (18)Enthalpy of Vaporization: 50.36 kJ/mol; (19)Boiling Point: 265.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00905 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=O)OC1(CCCCCC1)C#N
2. InChI: InChI=1S/C10H15NO2/c1-9(12)13-10(8-11)6-4-2-3-5-7-10/h2-7H2,1H3
3. InChIKey: CDDMHDQXVZILGM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	32mg/kg (32mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04224,

Product Name

1-CYANOCYCLOHEPTYL ACETATE

Cycloheptanecarbonitrile,1-(acetyloxy)- Specification

Related Products

Hot Products