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1-Iodooctane

1-Iodooctane structure

CAS No:
629-27-6
Formula:
C8H17I
Chemical Name:
1-Iodooctane
Synonyms:
Octane,1-iodo-;1-Iodooctane;Octyl iodide;1-n-Octyl iodide;n-Octyl iodide;1-Octyl iodide;1-Iodo-n-octane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colourless to amber liquid

1-Iodooctane Basic Attributes

Molecular Weight：

240.13

Exact Mass：

240.12

BRN：

1697479

EC Number：

211-084-5

DSSTox ID：

DTXSID4060868

HScode：

29033990

Characteristics

PSA：

XLogP3：

3.78190

Appearance：

Clear colorless to amber Liquid

Density：

1.33568 g/cm³ @ Temp: 15 °C

Melting Point：

-45.7 °C

Boiling Point：

225.5 °C

Flash Point：

203 °F

Refractive Index：

n20/D 1.4878(lit.)

Water Solubility：

Insoluble in water.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.25 mmHg

Safety Information

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

RG9700100

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.83%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

1-iodooctane has known human metabolites that include octyl-glutathione.

1-Iodooctane Use and Manufacturing

Manufacturing Info：

Octane, 1-iodo-: ACTIVE

Computed Properties

Molecular Weight:240.12
XLogP3:5.2
Rotatable Bond Count:6
Exact Mass:240.03750
Monoisotopic Mass:240.03750
Heavy Atom Count:9
Complexity:43.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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