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1-Bromohexadecane

1-Bromohexadecane structure

CAS No:
112-82-3
Formula:
C16H33Br
Chemical Name:
1-Bromohexadecane
Synonyms:
Hexadecane,1-bromo-;1-Bromohexadecane;Hexadecyl bromide;Cetyl bromide;n-Hexadecyl bromide;1-Hexadecyl bromide;Palmityl bromide;NSC 4193
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

colourless to yellow liquid or solid

Liquid

1-Bromohexadecane Basic Attributes

Molecular Weight：

305.34

Exact Mass：

305.34

BRN：

773989

EC Number：

204-008-7

UNII：

76GJI7GVAM

NSC Number：

4193

DSSTox ID：

DTXSID2049397

HScode：

29033036

Characteristics

PSA：

XLogP3：

9.2

Appearance：

Clear amber to brown-black Liquid After Melting

Density：

1.000 g/cm³ @ Temp: 20 °C

Melting Point：

18 °C

Boiling Point：

336 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.4609(lit.)

Water Solubility：

H2O: INsoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

<1 mm Hg ( 20 °C)

Vapor Density：

10.6 (vs air)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents. Combustible.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): 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 63 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-bromohexadecane

1-Bromohexadecane Use and Manufacturing

Methods of Manufacturing

It is obtained by bromination of cetyl alcohol: put the cetyl alcohol into the reaction pot and stir, heat and melt, and put in red phosphorus. At 100°C, bromine was added dropwise while fully stirring, controlling 120-130°C, the addition was completed in about 6 hours, and the reaction was continued and the hydrogen bromide was exhausted. Cool to below 50°C, add saturated and sodium chloride, stir and wash, stand for stratification, separate the lower layer of waste liquid, then wash with water until neutral, distill, collect 220-230°C (2kPa) fractions, get 1- Hexadecane bromide.

Uses

Used in the production of surfactants, but also in the production of bactericides, detergents, etc. Surfactant intermediates are also used in the production of fungicides; detergents, etc.

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|Hexadecane, 1-bromo-: ACTIVE

Computed Properties

Molecular Weight:305.34
XLogP3:9.2
Rotatable Bond Count:14
Exact Mass:304.17656
Monoisotopic Mass:304.17656
Heavy Atom Count:17
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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