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| CAS No.: | 4282-40-0 |
|---|---|
| Name: | 1-Iodoheptane |
| Molecular Structure: | |
|
|
|
| Formula: | C7H15I |
| Molecular Weight: | 226.101 |
| Synonyms: | 1-Heptyliodide;1-Iodo-n-heptane; |
| EINECS: | 224-285-8 |
| Density: | 1.387 g/cm3 |
| Melting Point: | -48 °C |
| Boiling Point: | 204 °C at 760 mmHg |
| Flash Point: | 78.9 °C |
| Solubility: | immiscible in water |
| Appearance: | clear colorless to pale yellow-orange liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.39180 |
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Specification
1.Introduction of 1-Iodoheptane
1-Iodoheptane,with its CAS NO of 4282-40-0,is a kind of colorless or pale orange clear liquid. It has synonyms of 1-Heptyliodide;1-Iodo-n-heptane.1-Iodoheptane is immiscible in water and should be stored in a cool, dry place, and keep away from sources of ignition.It is mainly used in organic synthesis.
2.Properties of 1-Iodoheptane
(1) EINECS: 224-285-8. (2) H bond acceptors: 0 (3) H bond donors: 0 (4) Freely Rotating Bonds: 5
(5) Index of Refraction: 1.494 (6) Molar Refractivity: 47.44 cm3 (7) Molar Volume: 162.9 cm3
(8) Surface Tension: 31 dyne/cm (9) Density: 1.387 g/cm3 (10) Flash Point: 78.9 °C (11) Enthalpy of Vaporization: 42.22 kJ/mol
(12) Boiling Point: 204 °C at 760 mmHg (13) Vapour Pressure: 0.386 mmHg at 25°C (14) Melting point: -48°C (15) Water solubility: immiscible
3.Structure descriptors of 1-Iodoheptane
SMILES: ICCCCCCC
InChI: InChI=1/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey: LMHCYRULPLGEEZ-UHFFFAOYAO
Std. InChI: InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
4.Safety Information of 1-Iodoheptane
Hazard symbols: 
Xi.
Risk statements : 36/37/38.
36/37/38: Irritating to eyes, respiratory system and skin.
Safety statements: 26-36/37/39.
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
It is irritating to lungs, eyes and skin.