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3-Iodohexane

3-Iodohexane structure

CAS No:
31294-91-4
Formula:
C6H13I
Chemical Name:
3-Iodohexane
Synonyms:
Hexane,3-iodo-;3-Iodohexane;59654-14-7

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3-Iodohexane Basic Attributes

Molecular Weight：

212.07

Exact Mass：

212.07

EC Number：

250-552-3

Characteristics

PSA：

0 Å²

Density：

1.4200

Melting Point：

-68.15°C (estimate)

Boiling Point：

81-82 °C @ Press: 49 Torr

Refractive Index：

1.4900

3-Iodohexane Use and Manufacturing

3-iodohexane can be used to produce alpha-ethylvalerate, 2-hexene, etc. Among them, alpha-ethyl valproic acid is a known metabolite and analogue of valproic acid. The results showed that 2-ethylvalerate had potential acute anticonvulsant and toxic effects. 2-hexene is mainly used as an intermediate in organic synthesis.

Computed Properties

Molecular Weight:212.07
XLogP3:3.9
Rotatable Bond Count:3
Exact Mass:212.00620
Monoisotopic Mass:212.00620
Heavy Atom Count:7
Complexity:35.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Iodohexane

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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