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1-Iodopentane

1-Iodopentane structure

CAS No:
628-17-1
Formula:
C5H11I
Chemical Name:
1-Iodopentane
Synonyms:
Pentane,1-iodo-;1-Iodopentane;n-Pentyl iodide;Amyl iodide;Pentyl iodide;1-Pentyl iodide;n-Amyl iodide;NSC 7901;5-Iodopentane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS LIQUID

1-Iodopentane Basic Attributes

Molecular Weight：

198.05

Exact Mass：

198.05

BRN：

1730982

EC Number：

211-030-0

NSC Number：

7901

DSSTox ID：

DTXSID1060849

HScode：

29033080

Characteristics

PSA：

XLogP3：

3.62

Appearance：

Clear colorless to yellow Liquid

Density：

1.54572 g/cm³ @ Temp: 0 °C

Melting Point：

-85.6 °C

Boiling Point：

155 °C

Flash Point：

124 °F

Refractive Index：

1.500

Water Solubility：

Insoluble in water.

Storage Conditions：

Flammables area

Vapor Pressure：

4.39 mmHg

Toxicity：

Abdominal injection-rat LD50: 948 mg/kg; Abdominal injection-mouse LD50: 489 mg/kg

Flammability characteristics：

Flammable; high heat emits toxic iodide gas

Henrys Law Constant：

0.02 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

26-36

RTECS Number：

SA2975600

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

Metabolism/Metabolites：

1-iodopentane has known human metabolites that include pentyl-glutathione.

1-Iodopentane Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of n-pentanol and phosphorus triiodide. First mix red phosphorus with n-pentanol, and when heated to 40°C on a water bath, slowly add iodine tablets. After adding the material, keep it warm until no hydrogen iodide is emitted. Reflux on the sand bath for 7 hours, and then distill. The obtained products are washed, dried, fractionated, and collected 155-157°C fractions to be finished products.

Uses

Used as a solvent, but also for organic synthesis

Manufacturing Info：

Pentane, 1-iodo-: ACTIVE

Computed Properties

Molecular Weight:198.05
XLogP3:3.6
Rotatable Bond Count:3
Exact Mass:197.99055
Monoisotopic Mass:197.99055
Heavy Atom Count:6
Complexity:19.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Iodopentane

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1-Iodopentane

CAS No.: 628-17-1

Grade: Industrial Grade

Content: 99%

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