1,5-ジブロモペンタン
1,5-Dibromopentane
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基本情報
- CAS
111-24-0- 標準SMILES
BrCCCCCBr- InChIKey
IBODDUNKEPPBKW-UHFFFAOYSA-N- 分子式
- C5H10Br2
- 平均分子量
- 229.94 g/mol
- 単同位体質量
- 227.91493
名称と識別子
- 優先名称
- 1,5-Dibromopentane
- IUPAC
- 1,5-dibromopentane
- 現地名
- 1,5-ジブロモペンタン
- 英語名
- 1,5-Dibromopentane
- 分子式
- C5H10Br2
- 分子量
- 229.94
名称と別名
1,5-DIBROMOPENTANE111-24-0Pentamethylene bromidePentamethylene dibromidePentane, 1,5-dibromo-DTXSID2049395NSC-5373B8Q228QYS1DTXCID9029354RefChem:73462203-849-7Br(CH2)5Br
名称をさらに表示
1,5-ジブロモペンタンペンタメチレンジブロミド臭化ペンタメチレン二臭化ペンタメチレンペンタメチレンブロミド1,5‐ジブロモペンタンペンタメチレンジブロマイドPENTANE-1,5-DIBROMIDE1,5-Dibrompentan1,5-dibromo-pentanPentan-1,5-dibromidPentane,1,5-dibromo-
1,5-dibrompentanePentane,5-dibromo-1,5-dibromo-pentaneDibromo-1,5 pentaneMFCD00000268NSC 5373DIBROMOPENTANE, 1,5-1,5-bis(bromanyl)pentane
データベース識別子
- CAS
111-24-0- PubChem CID
- 8100
- DTXSID
DTXSID2049395- ChEMBL
CHEMBL3182198- UNII
- B8Q228QYS1
- EC Number
- 203-849-7
- Nikkaji
- J5.106C
物性
構造計算による物性補完中
- XLogP
- 2.8
- 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
- 4
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 25.3
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Physical Description
CBI
Light brown liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -34 °C · -34 °C (lit.)
- 沸点
- 110 °C/15 · 110 °C/15 mmHg (lit.)
- 比重(密度)
- 1.688 g/mL · 1.688 g/mL at 25 °C (lit.)
- 蒸気密度
- 8 · 8 (vs air)
- 屈折率
- 20 · n20/D 1.512(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム、メタノール（少量）
- 外見
- 液体
- 色
- 無色透明～黄褐色
- 水溶解度
- 不溶性
- BRN
- 1209245 · 1209245
- InChI
- 1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2
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
H302 (12.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 9 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: Pentane, 1,5-dibromo-
Pentane, 1,5-dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane, 1,5-dibromo- 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: 1,5-dibromopentane (EC: 203-849-7)
1,5-Dibromopentane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Bromopentane.
Hazard Classes and CategoriesAcute Tox. 4 (12.7%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SA0320000
- hs_code
- 29033036
- risk_code
- 36/38-22
- 化審法
- (2)-3344
- 消防法
- 危-4-3-III
- hazard_code
- Xi,Xn
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Industry UsesCatalyst
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Pentane, 1,5-dibromo-: ACTIVE
応用分野
使用1,5-Dibromopentane is used in the preparation of 1,5-di-Grignard reagent and novel spirocyclic pyrrolidones. It acts as a growth supplement for Yarrowia lipolytica 3589, a tropical marine yeast. It is involved in the synthesis of N-alkylated piperidine as well as tetrydrothiopyran (thiane) by reaction with primary amine and sodium sulfide respectively.
一般的な説明1,5-Dibromopentane is a growth supplement for Yarrowia lipolytica 3589, a tropical marine yeast.
調製方法
製造方法1,5-Dibromopentane was obtained by ring-opening bromination of tetrahydropyran. In a 500ml flask, add 250g of 48% hydrobromic acid, 75g of concentrated sulfuric acid, 21.5g of redistilled tetrahydropyran (86.5-87.5°C fraction) in turn to a reflux condenser and heat the brown mixture gently to reflux for 3h. After cooling to room temperature, partition the lower layer of dibromide and wash each with saturated sodium carbonate solution and water once. Dried with anhydrous calcium chloride. Distill under reduced pressure and collect the 104-106°C (2.53 kPa) fraction as 1,5-dibromopentane in 46-47 g yield and 80-82% yield.1,5-Dibromopentane synthesis route
上流・下流製品情報
上流原料
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