1-ブロモヘキサデカン

1-Bromohexadecane

HCID 8213CAS 112-82-3

基本情報

標準SMILES
CCCCCCCCCCCCCCCCBr
InChIKey
HNTGIJLWHDPAFN-UHFFFAOYSA-N
分子式
C16H33Br
平均分子量
305.34 g/mol
単同位体質量
304.17656316

名称と識別子

優先名称
1-Bromohexadecane
IUPAC
1-bromohexadecane
現地名
1-ブロモヘキサデカン
英語名
1-Bromohexadecane
分子式
C16H33Br
分子量
305.34

名称と別名

1-BROMOHEXADECANE112-82-3Hexadecyl bromideCetyl bromiden-Hexadecyl bromideHexadecane, 1-bromo-1-Hexadecyl bromiden-Hexadecyl-1-bromideDTXSID204939776GJI7GVAMNSC-4193DTXCID9029356
名称をさらに表示
1-ブロモヘキサデカンヘキサデシルブロミドn-ヘキサデシルブロミド臭化n-ヘキサデシル臭化セチルセチルブロミド1-ヘキサデシルブロマイドセチルブロマイド1ブロモヘキサデカン1‐ブロモヘキサデカン1-ブロモヘキサデカン, 98%1-BromhexadecanHexadecylbromidPalmitylbromide1-bromo-hexadecan
RefChem:75166204-008-7Hexadecane, bromo-bromohexadecanepalmityl bromideMFCD00000230Cetyl bromide, Hexadecyl bromideEINECS 204-008-7

データベース識別子

CAS
112-82-3
PubChem CID
8213
DTXSID
DTXSID2049397
ChEMBL
CHEMBL3188886
UNII
76GJI7GVAM
EC Number
204-008-7
Nikkaji
J378F

物性

構造計算による物性

XLogP
9.2
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
14
重原子数
17

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Physical Description · 2 件

Liquid

Melting point = 18 deg C; [ChemIDplus] Colorless liquid; mp = 16-18 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点
16 · 16-18 °C(lit.)
沸点
190 °C11 · 190 °C11 mm Hg(lit.)
比重(密度)
0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
蒸気密度
10.6 · 10.6 (vs air)
蒸気圧
1 mm · <1 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.4609(lit.)

化学的性質

化学的特性colourless to yellow liquid or solid.soluble in ether, alcohol, insoluble in water.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 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 · 4 件

Chemical: Hexadecane, 1-bromo-

Hexadecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecane, 1-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10277

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

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Hexadecane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29033036
risk_code
36/37/38
化審法
(2)-67
消防法
危-4-3-III

化学と産業

用途と製造

U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information · 2 件

Not Known or Reasonably Ascertainable

Hexadecane, 1-bromo-: ACTIVE

応用分野 · 3 件

用途セチル基をもつ化合物の中間体。

使用1-Bromohexadecane has been used:in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chainsas extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) methodin the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbentsin the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)

使用1-Bromohexadecane is used in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains. It is also used to synthesize [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents.

調製方法 · 2 件

製造方法Synthesis of 1-Bromohexadecane from hexadecanol by bromination: put hexadecanol into the reaction pot and stir, heat, melt and put in red phosphorus. Add bromine drop by drop at 100℃ with sufficient stirring on one side, control 120-130℃, about 6h drop by drop, continue the reaction and drain the hydrogen bromide. Cool to below 50 ℃, add saturated and sodium chloride, stirring and washing, resting stratification, parting off the lower waste stream, then wash with water to neutral, distillation, collect 220-230 ℃ (2kPa) fraction, to obtain 1-bromohexadecane.

純化方法Shake the bromide with H2SO4, wash with H2O, dry with K2CO3 and fractionally distil it in vacuo.[Beilstein 1 IV 542.]

サプライヤー50 社

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関連反応

146 件

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