Hexane, 3-iodo- supplier | CasNO.31294-91-4

Name
3-IODOHEXANE
EINECS 250-552-3
CAS No. 31294-91-4
Article Data13
CAS DataBase
Density 1.444 g/cm³
Solubility
Melting Point -68.15°C (estimate)
Formula C₆H₁₃I
Boiling Point 171.5 °C at 760 mmHg
Molecular Weight 212.074
Flash Point 55.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Iodohexane;
PSA 0.00000
LogP 3.00010

Hexane, 3-iodo- Specification

The Hexane, 3-iodo- has CAS registry number 31294-91-4. Its EINECS registry number is 250-552-3. This chemical's molecular formula is C₆H₁₃I and molecular weight is 212.07. What's more, its IUPAC name is 3-Iodohexane.

Physical properties about Hexane, 3-iodo- are: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 612.25; (6)ACD/BCF (pH 7.4): 612.25; (7)ACD/KOC (pH 5.5): 3439.43; (8)ACD/KOC (pH 7.4): 3439.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 42.77 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 16.95×10^-24 cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 1.444 g/cm³; (19)Flash Point: 55.1 °C; (20)Enthalpy of Vaporization: 39.11 kJ/mol; (21)Boiling Point: 171.5 °C at 760 mmHg; (22)Vapour Pressure: 1.86 mmHg at 25 °C.

Uses of Hexane, 3-iodo-: it is used to produce other chemicals. For example, it is used to produce 2, 4-Di-tert-butyl-6-(1-ethyl-butoxy)-phenol by heating. The reaction needs reagent KOH and solvent aq. Ethanol. The reaction time is 3 hours. The yield is about 32 %.

Hexane, 3-iodo- can react with 3, 5-Di-tert-butyl-benzene-1, 2-diol to get 2, 4-Di-tert-butyl-6-(1-ethyl-butoxy)-phenol.

You can still convert the following datas into molecular structure:
(1) SMILES: IC(CC)CCC
(2) InChI: InChI=1/C6H13I/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
(3) InChIKey: QQKICFXKOIDMSQ-UHFFFAOYAE

Product Name

3-IODOHEXANE

Hexane, 3-iodo- Specification

Related Products

Hot Products