1-ブロモオクタデカン

1-Bromooctadecane

HCID 8218CAS 112-89-0

基本情報

標準SMILES
CCCCCCCCCCCCCCCCCCBr
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
分子式
C18H37Br
平均分子量
333.4 g/mol
単同位体質量
332.20786328

概要

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

名称と識別子

優先名称
1-Bromooctadecane
IUPAC
1-bromooctadecane
現地名
1-ブロモオクタデカン
英語名
1-Bromooctadecane
分子式
C18H37Br
分子量
333.39

名称と別名

1-BROMOOCTADECANEOctadecyl bromideOctadecane, 1-bromo-AI3-00994NSC 5542EINECS 204-013-4OCTADECANE,1-BROMODTXSID8059423nOctadecyl bromideOctadecane, 1bromoRefChem:75174DTXCID4033265
名称をさらに表示
1-ブロモオクタデカンオクタデシルブロミドステアリルブロマイド臭化N-オクタデシル臭化ステアリルステアリルブロミド1‐ブロモオクタデカン1-ブロモオクタデカン, 97%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

データベース識別子

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

物性

構造計算による物性

XLogP
10.3
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
16
重原子数
19

実験および物理化学的性質

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

物理化学的性質

融点
25 · 25-30 °C(lit.)
沸点
214 · 214-216 °C12 mm Hg(lit.)
比重(密度)
0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
屈折率
1.462 · 1.462-1.464
闪点
230 °F · >230 °F
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性It is a colorless or light yellow liquid, soluble in ethanol, ether, ethyl acetate, and petroleum ether, but insoluble in water. It decomposes when exposed to light and is used in organic synthesis.

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29033036
risk_code
36/37/38
化審法
(2)-67
safety_code
22-24/25

化学と産業

用途と製造

General Manufacturing InformationOctadecane, 1-bromo-: ACTIVE
応用分野 · 1 件

使用1-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.

調製方法 · 2 件

製造方法1-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%.

純化方法Twice recrystallise bromooctadecane from the melt, then distil it under vacuum three times using the middle cut. Alternatively, wash the oil with aqueous Na2SO4, then conc H2SO4 (cool) and again with aqueous Na2SO4 and then fractionally distil it. [Meyer & Ried J Am Chem Soc 55 1574 1933, Hoffmann & Smyth J Am Chem Soc 72 171 1950, IR: LeFévre et al. Aust J Chem 12 743 1959, IR: Brini-Fritz Bull Soc Chim Fr 516 1957, Beilstein 1 IV 555.]

サプライヤー50 社

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]

関連反応

130 件

関連ノート

読み込み中…