基本情報
- 標準SMILES
BrC1CCCC1- InChIKey
BRTFVKHPEHKBQF-UHFFFAOYSA-N- 分子式
- C5H9Br
- 平均分子量
- 149.03 g/mol
- 単同位体質量
- 147.98876239
名称と識別子
- 優先名称
- Bromocyclopentane
- IUPAC
- bromocyclopentane
- 現地名
- ブロモシクロペンタン
- 英語名
- Bromocyclopentane
- 分子式
- C5H9Br
- 分子量
- 149.03
名称と別名
名称をさらに表示
データベース識別子
- CAS
137-43-9- PubChem CID
- 8728
- DTXSID
DTXSID9059670- UNII
- QP65Z83BNY
- EC Number
- 205-294-6
- Nikkaji
- J132.737B
物性
構造計算による物性
- XLogP
- 2.3
- 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
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 37.2
実験および物理化学的性質
物理化学的性質
- 沸点
- 137 · 137-139 °C (lit.)
- 比重(密度)
- 1.39 g/mL · 1.39 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.4881(lit.)
- 闪点
- 95 °F · 95 °F
- 貯蔵温度
- Store at R.T.
- 溶解性
- Chloroform, Ethyl Acetate (Slightly)
- 外見
- 液体
- 比重
- 1.39 · 1.39
- 色
- クリアイエロー~ライトブラウン
- 水溶解度
- 水と混和しない。
- BRN
- 1209256 · 1209256
- 安定性
- 安定。可燃性。強酸化剤、強塩基とは相容れない。
- InChI
- 1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2
- InChIKey
- BRTFVKHPEHKBQF-UHFFFAOYSA-N
- SMILES
- BrC1CCCC1
- LogP
- 2.745 · 2.745 (est)
- CAS データベース
- 137 · 137-43-9(CAS DataBase Reference)
- NISTの化学物質情報
- Cyclopentane, bromo-(137-43-9)
- EPAの化学物質情報
- Cyclopentane, bromo- (137-43-9)
化学的性質
化学的特性Bromocyclopentane is a colorless to light yellow liquid at standard temperature and pressure.It has an aroma similar to camphor. It turns brown after a long time. Soluble in ethanol, ether, insoluble in water. Halocyclopentanes can be prepared by reacting the corresponding alcohols with thionyl halides, phosphorus trihalides or hydrohalic acids.
安全と法規制
GHS分類
GHS Classification
Warning
H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Cyclopentane, bromo-
Status: Active Update: 12-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15852
Bromocyclopentane: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29035990
- risk_code
- 10
- 化審法
- (3)-4322
- 消防法
- 危-4-2-III
- safety_code
- 23-24/25-16
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
用途有機合成原料。
使用Bromocyclopentane is a precursor used in the preparation of cyclopentene and cyclopentanol. It is a fatty bromide, which is used as a solvent. It is used as an intermediate for the preparation of surfactant and pharmaceuticals and other organic compounds. It is also used in the production of the medicine cyclopentathiazide.
調製方法
製造方法Bromocyclopentane is synthesized by bromination of cyclopentanol: cyclopentanol is mixed with hydrobromic acid and heated to about 170°C refluxed for 6-8h. Then distilled with water steam, the oil layer is washed with 5% sodium carbonate, then dried, filtered, fractionated and collected 136-139°C fraction is the finished product. Another method is by the reaction of cyclopentanol and phosphorus tribromide: the cyclopentanol is cooled to 0 ℃, add the newly evaporated phosphorus tribromide drop by drop, add it all at 0-5 ℃, stir for 2h, and leave it at room temperature overnight. Add water and stratify, take the oil layer water distillation. Distillate stratification, the oil layer was washed with 10% sodium bicarbonate solution, dried with anhydrous calcium chloride, filtration, filtrate distillation, collect 134-141 ℃ fraction that is bromocyclopentane.
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