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3-(Iodomethyl)heptane

3-(Iodomethyl)heptane structure

CAS No:
1653-16-3
Formula:
C8H17I
Chemical Name:
3-(Iodomethyl)heptane
Synonyms:
Heptane,3-(iodomethyl)-;3-(Iodomethyl)heptane;2-Ethylhexyl iodide
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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3-(Iodomethyl)heptane Basic Attributes

Molecular Weight：

240.13

Exact Mass：

240.12

EC Number：

216-720-5

HScode：

2903399090

Characteristics

PSA：

XLogP3：

3.63780

Appearance：

clear to reddish oily liquid

Density：

1.3398 g/cm³ @ Temp: 25 °C

Melting Point：

-45.7°C (estimate)

Boiling Point：

89-90 °C @ Press: 11 Torr

Flash Point：

175 °F

Refractive Index：

n 20/D 1.491(lit.)

Vapor Pressure：

0.198mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Iodomethyl)heptane Use and Manufacturing

Manufacturing Info：

Heptane, 3-(iodomethyl)-: ACTIVE

Computed Properties

Molecular Weight:240.12
XLogP3:5
Rotatable Bond Count:5
Exact Mass:240.03750
Monoisotopic Mass:240.03750
Heavy Atom Count:9
Complexity:52.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes