1-Bromooctadecane

HCID 8218CAS 112-89-0

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCCBr
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
Molecular formula
C18H37Br
Average molar mass
333.4 g/mol
Monoisotopic mass
332.20786328

Overview

1-Bromooctadecane has been reported in Vernonanthura patens with data available.

Names & identifiers

Preferred name
1-Bromooctadecane
IUPAC
1-bromooctadecane
English name
1-Bromooctadecane
Molecular formula
C18H37Br
Molecular weight
333.39

Names & synonyms

1-BROMOOCTADECANEOctadecyl bromideOctadecane, 1-bromo-AI3-00994NSC 5542EINECS 204-013-4OCTADECANE,1-BROMODTXSID8059423nOctadecyl bromideOctadecane, 1bromoRefChem:75174DTXCID4033265
Show more names
BroMo octadecaneOCLadecyl BroMide1-bromo-octadecan1-Bromooctodecaneoctadecane,1-bromo-1-Bromooctadecane,96%
204-013-4InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1HWSULSMOGMLRGKU-UHFFFAOYSA-N112-89-0Stearyl bromiden-Octadecyl bromideC18H37Brbromooctadecane

Database identifiers

CAS
112-89-0
PubChem CID
8218
DTXSID
DTXSID8059423
UNII
Z7M35JLL5U
EC Number
204-013-4
Nikkaji
J379D

Properties

Computed structural properties

XLogP
10.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
16
Heavy atoms
19

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
Vapor Pressure0.00000594 [mmHg]
Physical DescriptionWhite odorless solid; mp = 25-30 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
25 · 25-30 °C(lit.)
Boiling point
214 · 214-216 °C12 mm Hg(lit.)
Density
0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
refractive index
1.462 · 1.462-1.464
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.

Warning

H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 127 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20869

Octadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Lauryl bromide.
Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29033036
risk_code
36/37/38
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOctadecane, 1-bromo-: ACTIVE
Applications · 1 item

Uses1-Bromooctadecane was used in the synthesis of shortened single-walled carbon nanotubes (s-SWCNTs). It is utilized to prepare octadecane in the presence of sodium borohydride as a catalyst. It is involved as a raw material for the preparation of dimethyldistearylammonium bromide, which is a bentonite modifier.

Preparation methods · 1 item

Preparation1-Bromooctadecane is synthesized by the reaction of stearyl alcohol with hydrogen bromide. The alcohol is heated to 100°C, dry hydrogen bromide is introduced, and the reaction temperature is maintained at 100-120°C until the solution no longer absorbs hydrogen bromide. The bromide is layered, the organic phase is washed with concentrated sulfuric acid, the bromide after the acid solution is separated and mixed with an equal volume of 90% methanol, washed with ammonia to make the bromide alkaline, then washed with 90% methanol, and anhydrous Dry calcium chloride. Finally, vacuum distillation, collecting 209-211 ℃ (1.33kPa) fraction is 1-bromooctadecane, and the yield is 90%.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

130 records

Linked notes

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