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1-Bromooctadecane

1-Bromooctadecane structure

CAS No:
112-89-0
Formula:
C18H37Br
Chemical Name:
1-Bromooctadecane
Synonyms:
Octadecane,1-bromo-;1-Bromooctadecane;Octadecyl bromide;n-Octadecyl bromide;Stearyl bromide;NSC 5542;1027627-82-2;1465759-08-3
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Yellowish low melting solid

1-Bromooctadecane Basic Attributes

Molecular Weight：

333.39

Exact Mass：

333.39

BRN：

774145

EC Number：

204-013-4

NSC Number：

5542

DSSTox ID：

DTXSID8059423

HScode：

29033036

Characteristics

PSA：

XLogP3：

10.3

Appearance：

Yellow Low Melting Solid

Density：

0.976 g/mL at 25 °C(lit.)

Melting Point：

28.2 °C

Boiling Point：

210 °C

Flash Point：

>230 °F

Refractive Index：

1.462-1.464

Water Solubility：

insoluble

Storage Conditions：

2-8°C

Vapor Pressure：

5.94e-06 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 20 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromooctadecane Use and Manufacturing

Methods of Manufacturing

From the reaction of stearyl alcohol and hydrogen bromide. Heat the alcohol to 100°C, pass in dry hydrogen bromide, and keep the reaction temperature at 100-120°C until the solution no longer absorbs hydrogen bromide. The bromide is separated into layers, the organic phase is washed with concentrated sulfuric acid, the bromide after separating the acid solution is mixed with an equal volume of 90% methanol, washed with ammonia water to make the bromide alkaline, and then washed with 90% methanol, with anhydrous Calcium chloride is dry. Finally, vacuum distillation, collecting 209-211°C (1.33kPa) distillate is the finished product, and the yield is 90%.

Uses

Organic synthesis intermediate.

Manufacturing Info：

Octadecane, 1-bromo-: ACTIVE

Computed Properties

Molecular Weight:333.4
XLogP3:10.3
Rotatable Bond Count:16
Exact Mass:332.20786
Monoisotopic Mass:332.20786
Heavy Atom Count:19
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Calcium chloride

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