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| CAS No.: | 33758-34-8 |
|---|---|
| Name: | Heptyl chloroformate |
| Molecular Structure: | |
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| Formula: | C8H15ClO2 |
| Molecular Weight: | 178.659 |
| Synonyms: | Carbonochloridic acid, heptyl ester;n-Heptyl chloroformate; |
| Density: | 1.018 g/cm3 |
| Boiling Point: | 208.5 °C at 760 mmHg |
| Flash Point: | 64.4 °C |
| Hazard Symbols: | C,Xn |
| Risk Codes: | R10-23/24/25-34 |
| Safety: | S16-26-36/37/39-45 |
| PSA: | 26.30000 |
| LogP: | 3.33220 |
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Specification
The CAS register number of Heptyl chloroformate is 33758-34-8. It also can be called as Carbonochloridic acid, heptyl ester and the IUPAC name about this chemical is heptyl carbonochloridate.
Physical properties about Heptyl chloroformate are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 765.18; (5)ACD/BCF (pH 7.4): 765.18; (6)ACD/KOC (pH 5.5): 4034.58; (7)ACD/KOC (pH 7.4): 4034.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.434; (12)Molar Refractivity: 45.73 cm3; (13)Molar Volume: 175.4 cm3; (14)Polarizability: 18.13x10-24cm3; (15)Surface Tension: 30.8 dyne/cm; (16)Enthalpy of Vaporization: 44.47 kJ/mol; (17)Vapour Pressure: 0.213 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is toxic by inhalation, in contact with skin and if swallowed, it can causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCOC(=O)Cl
(2)InChI: InChI=1S/C8H15ClO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3
(3)InChIKey: SATRZZYUXUGZIE-UHFFFAOYSA-N