1-ブロモドデカン
1-Bromododecane
基本情報
- CAS
143-15-7- 標準SMILES
CCCCCCCCCCCCBr- InChIKey
PBLNBZIONSLZBU-UHFFFAOYSA-N- 分子式
- C12H25Br
- 平均分子量
- 249.23 g/mol
- 単同位体質量
- 248.11396
名称と識別子
- 優先名称
- 1-Bromododecane
- IUPAC
- 1-bromododecane
- 現地名
- 1-ブロモドデカン
- 英語名
- 1-Bromododecane
- 分子式
- C12H25Br
- 分子量
- 249.23
名称と別名
1-Bromododecane143-15-7Lauryl bromideDodecyl bromideDodecane, 1-bromo-DTXSID2044395DTXCID002439590T93TX09DNSC-6786RefChem:75159205-587-9n-Dodecyl bromide
名称をさらに表示
1-ブロモドデカンドデシルブロミドn-ドデシルブロミド臭化ラウリル臭化ドデシルラウリルブロミドラウリルブロマイドドデシルブロマイド臭化N-ドデシル1‐ブロモドデカン1-ブロモドデカン, 98%1-DodecylbromideBROMODODECANLaurlybromideJACS-143-15-7Lauroylbromide1-Dodecylbromid1-bromo-dodecan
Dodecane, bromo-bromododecaneC12H25Br1-bromo dodecane1-bromo-dodecane1-BROMO-N-DODECANE1-dodecyl-bromideMFCD00000225
データベース識別子
- CAS
143-15-7- PubChem CID
- 8919
- DTXSID
DTXSID2044395- ChEMBL
CHEMBL3184907- UNII
- 90T93TX09D
- EC Number
- 205-587-9
- Nikkaji
- J2.029J
物性
構造計算による物性
- XLogP
- 7.1
- 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
- 10
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 81.2
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Density1.038 @25 °C
Physical Description
Liquid
Liquid; [Merck Index] Colorless liquid with a weak odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 11 · −11-−9 °C(lit.)
- 沸点
- 134 · 134-135 °C6 mm Hg(lit.)
- 比重(密度)
- 1.04 g/mL · 1.040 g/mL at 20 °C
- 蒸気密度
- 8.6 · 8.6 (vs air)
- 屈折率
- 20 · n20/D 1.458(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · Sealed in dry,2-8°C
- 溶解性
- アルコール：可溶
- 外見
- 液体
- 色
- クリア
- 水溶解度
- 不溶性
- Merck
- 14 · 14,5389
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
This chemical does not meet GHS hazard criteria for 22.9% (58 of 253) of reports.
Danger
H304 (41.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 253 reports by companies from 13 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: Dodecane, 1-bromo-
Dodecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecane, 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)
REACH registered substance: 1-bromododecane (EC: 205-587-9)
Dodecane, 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 1-Bromopropane and 2-Bromopentane.
Hazard Classes and CategoriesAsp. Tox. 1 (41.1%)
安全と保護具
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
毒性情報
化学と産業
用途と製造
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesAbrasives
Industry UsesAbrasives
General Manufacturing Information
Mining (except Oil and Gas) and support activities
Dodecane, 1-bromo-: ACTIVE
応用分野
用途ドデシル基をもつ化合物の中間体。
使用1-Bromododecane is used as a solvent. It is used as an intermediate to manufacture surfactant, pharmaceuticals and other organic compounds.
使用1-Bromododecane have assumed considerable importance as starting materials for the production of many types of organic derivatives. The major use for 1-Bromododecane with 12 – 16 carbon atomsisinthe production of alkyldimethylamines by the nucleophilic displacement of bromide ion with dimethylamine. These amines are used as intermediates in the manufacture of fatty amine oxides and alkyl dimethyl benzyl quaternary ammonium salts, which are used in a wide range of products because of their biological (germicidal) or physical (cationic) properties. Minor amounts of 1-Bromododecane are used to produce insect pheromones, phasetransfer catalysts, and other useful specialty chemicals.
一般的な説明1-Bromododecane is antimicrobial agent.
調製方法
製造方法1-Bromododecane is synthesized by the action of 1-dodecanol and hydrobromic acid. The 1-dodecanol is added to the enameled glass reaction pot, stirred and cooled, and sulfuric acid is slowly added. Stir for 1h, then add hydrobromic acid. The temperature is gradually increased to 90-95℃, and the reaction is stirred for 8h. After the reaction, the temperature is lowered to 30℃ and left for 8h. The acid layer is separated, and the oil layer is adjusted to pH 8 with dilute alkali solution, and the alkali solution is separated and washed with 50% ethanol. Distill under reduced pressure and collect 140-200℃ (3.33kPa) fractions to obtain refined 1-bromododecane.
関連反応
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化合物ノート
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