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1-Iodoheptane

1-Iodoheptane structure

CAS No:
4282-40-0
Formula:
C7H15I
Chemical Name:
1-Iodoheptane
Synonyms:
Heptane,1-iodo-;1-Iodoheptane;Heptyl iodide;n-Heptyl iodide;1-Heptyl iodide;NSC 7316;1-Iodo-n-heptane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear colorless to pale yellow-orange liquid

1-Iodoheptane Basic Attributes

Molecular Weight：

226.1

Exact Mass：

226.10

EC Number：

224-285-8

NSC Number：

7316

DSSTox ID：

DTXSID2063393

HScode：

29033080

Characteristics

PSA：

XLogP3：

4.68

Appearance：

Clear colorless to pale yellow-orange liquid

Density：

1.3774 g/cm³ @ Temp: 20 °C

Melting Point：

-48.2 °C

Boiling Point：

204 °C

Flash Point：

174 °F

Refractive Index：

1.494

Water Solubility：

H2O: immiscible;benzene: miscible(lit.)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.45 mmHg

Henrys Law Constant：

0.04 atm-m3/mole

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

MJ1050000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

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

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.78%): 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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

1-iodoheptane has known human metabolites that include heptyl-glutathione.

1-Iodoheptane Use and Manufacturing

Methods of Manufacturing

Firstly, catechol is reacted with phosphorus trichloride to produce chlorophosphite o-phenylene, and then reacted with heptanol to obtain a colorless oily phosphite. Take 50.9 g (0.20 mol) of the above phosphite and 50.8 g (0.20 mol) of iodine into 500 ml of dichloromethane, and stir at room temperature for 1 hour. Use 10% sodium thiosulfate solution to wash away possible unreacted iodine, and then wash with 5% NaOH solution, 5% NaHCO3 solution, and saturated NaCl solution in order to separate the organic phase. After evaporating the solvent, reduce pressure Distillation, collect 96-104℃ (5.33-6.4kPa) distillate, obtain 39g iodoheptane, yield 86%.

Uses

Used in organic synthesis.

Manufacturing Info：

Heptane, 1-iodo-: INACTIVE

Computed Properties

Molecular Weight:226.10
XLogP3:4.7
Rotatable Bond Count:5
Exact Mass:226.02185
Monoisotopic Mass:226.02185
Heavy Atom Count:8
Complexity:35.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Iodoheptane

CAS No.: 4282-40-0

Content: 99.00%

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