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1-Iodohexane

1-Iodohexane structure

CAS No:
638-45-9
Formula:
C6H13I
Chemical Name:
1-Iodohexane
Synonyms:
Hexane,1-iodo-;1-Iodohexane;Hexyl iodide;1-Hexyl iodide;n-Hexyl iodide;NSC 9251;1-Iodo-n-hexane
Categories:
Organic Chemistry > Coordination Complexes

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Description

clear colorless to light yellow liquid

1-Iodohexane Basic Attributes

Molecular Weight：

212.07

Exact Mass：

212.07

BRN：

505971

EC Number：

211-339-0

NSC Number：

9251

DSSTox ID：

DTXSID2049341

HScode：

29033080

Characteristics

PSA：

XLogP3：

3.00170

Appearance：

Clear colorless to light yellow Liquid

Density：

1.435 g/cm³ @ Temp: 20 °C

Melting Point：

-74.2 °C

Boiling Point：

181 °C

Flash Point：

142 °F

Refractive Index：

n20/D 1.492(lit.)

Storage Conditions：

StoreunderNitrogen

Vapor Pressure：

1.40 mmHg

Toxicity：

Abdominal cavity-rat LD50: 1000 mg/kg; abdominal cavity-mouse LD50: 520 mg/kg

Flammability characteristics：

Open flame is flammable; high heat emits toxic iodide gas

Henrys Law Constant：

0.03 atm-m3/mole

Safety Information

Hazard category：

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

22-37/38-41-51/53

safety instructions：

26-36/37/39-61

RTECS Number：

MO3855000

Marks：

Xn,N

Storage features：

Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions. Darkens on exposure to light.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, 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.

Toxicity

Toxicity class：

moderately toxic

1-Iodohexane Use and Manufacturing

Manufacturing Info：

Hexane, 1-iodo-: ACTIVE

Computed Properties

Molecular Weight:212.07
XLogP3:4.2
Rotatable Bond Count:4
Exact Mass:212.00620
Monoisotopic Mass:212.00620
Heavy Atom Count:7
Complexity:27.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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