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1-Chlorooctadecane

1-Chlorooctadecane structure

CAS No:
3386-33-2
Formula:
C18H37Cl
Chemical Name:
1-Chlorooctadecane
Synonyms:
Octadecane,1-chloro-;1-Chlorooctadecane;Octadecyl chloride;n-Octadecyl chloride;NSC 5543;1-Octadecyl chloride;C 18Cl
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to yellowish liquid after melting

Liquid

1-Chlorooctadecane Basic Attributes

Molecular Weight：

288.94

Exact Mass：

288.94

EC Number：

222-207-7

UNII：

73H8VD533I

NSC Number：

5543

DSSTox ID：

DTXSID3027536

HScode：

2903199000

Characteristics

PSA：

XLogP3：

10.1

Appearance：

Liquid

Density：

0.8289 g/cm³ @ Temp: 20 °C

Melting Point：

28.6 °C

Boiling Point：

348 °C

Flash Point：

151.9±3.4 °C

Refractive Index：

1.448

Water Solubility：

0.03 g/L (20 ºC)

Vapor Pressure：

1.71e-05 mmHg

Safety Information

Transport codes：

UN 1593 6.1/PG 3

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S45-S36/37/39-S23-S53-S36/37-S24/25

RTECS Number：

RG0187200

Marks：

Xi:Irritant;

Precautionary statement(s)：

P281

Hazard Statements：

H351

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, 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 121 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-chlorooctadecane

1-Chlorooctadecane Use and Manufacturing

Methods of Manufacturing

Preparation of n-octadecyl chloride in a semicontinuous process A 1 l jacketed glass reactor with a glass paddle stirrer and immersed tube for reactant metering is initially charged with 220 g of N-n-octylalkylpyridinium chloride (prepared according to Example 2) and adjusted to a temperature of 150° C. 447 g of n-octadecanol are introduced uniformly via an immersed tube over 5 hours. Gaseous hydrogen chloride is metered in via an immersed tube in a slight stoichiometric excess over the entire reaction time, and the water of reaction formed is simultaneously removed via distillation. The performance of the reaction and the workup of the reaction mixture are analogous to Example 4a. After a total reaction time of 8 h (including 3 hours of postreaction), the conversion based on n-octadecanol is 99.8percent.Example 7b Preparation of n-octadecyl chloride in a semicontinuous process The procedure corresponds to that of Example 7a with the exception that the catalyst used is an alkylpyridine hydrochloride. After a total reaction time of 8 h, the conversion based on the n-octadecanol is 62.7percent and, after a total reaction time of 39 h, it is 99.4percent.4-Dimethylaminopyridine Hydrochloride as Catalyst for Phosgene Synthesis

Uses

Intermediates

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Octadecane, 1-chloro-: ACTIVE

Computed Properties

Molecular Weight:288.9
XLogP3:10.1
Rotatable Bond Count:16
Exact Mass:288.2583789
Monoisotopic Mass:288.2583789
Heavy Atom Count:19
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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