1-ブロモヘキサデカン
1-Bromohexadecane
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
112-82-3- 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補完中
- 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
- 形式電荷
- 0
- 複雑度
- 123
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Physical Description
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.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 混ぜにくい。
- 外見
- 融解後の液体
- 比重
- 1 · 1.000 (20/4℃)
- 色
- 澄んだ琥珀色から黒褐色
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
- hazard_code
- Xi
- safety_code
- 26-36
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
Not Known or Reasonably Ascertainable
Hexadecane, 1-bromo-: ACTIVE
応用分野
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
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.]
関連反応
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化合物ノート
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