基本情報
- 標準SMILES
BrC1CC1- InChIKey
LKXYJYDRLBPHRS-UHFFFAOYSA-N- 分子式
- C3H5Br
- 平均分子量
- 120.98 g/mol
- 単同位体質量
- 119.95746226
名称と識別子
- 優先名称
- Bromocyclopropane
- IUPAC
- bromocyclopropane
- 現地名
- ブロモシクロプロパン
- 英語名
- Cyclopropyl bromide
- 分子式
- C3H5Br
- 分子量
- 120.98
名称と別名
名称をさらに表示
データベース識別子
- CAS
4333-56-6- PubChem CID
- 78037
- DTXSID
DTXSID8063418- EC Number
- 224-375-7
- Nikkaji
- J150.689G
物性
構造計算による物性
- XLogP
- 1.5
- 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
- 4
- 形式電荷
- 0
- 複雑度
- 22.5
実験および物理化学的性質
物理化学的性質
- 沸点
- 69 °C · 69 °C (lit.)
- 比重(密度)
- 1.51 g/mL · 1.51 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.458(lit.)
- 闪点
- 20 °F · 20 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Sparingly), Methanol (Slightly)
- 外見
- 液体
- 比重
- 1.51 · 1.510
- 色
- 無色透明
- 水溶解度
- 混和しない
- BRN
- 1900287 · 1900287
- InChI
- InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2
- InChIKey
- LKXYJYDRLBPHRS-UHFFFAOYSA-N
- SMILES
- C1(Br)CC1
- CAS データベース
- 4333 · 4333-56-6(CAS DataBase Reference)
- NISTの化学物質情報
- Cyclopropyl bromide(4333-56-6)
- EPAの化学物質情報
- Cyclopropane, bromo- (4333-56-6)
化学的性質
化学的特性Light yellow to clear colourless liquid, boiling point 67-69°C, refractive index (nD20) 1.4605, density (d420) 1.5120, flash point -6°C.
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- F
- 8-19
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29035990
- risk_code
- 11-36/37/38
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi
- hazard_note
- Irritant
- safety_code
- 16-26-36-37/39
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Flam. Liq. 2
- 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。
説明Cyclopropyl bromide is also named as Bromocyclopropane. It is used in organic synthesis, for instance, for the formation of a Grignard Reagent, cyclopropyllithium. It is also used as an intermediate in the manufacture of pharmaceutical and agrochemical products.
使用Bromocyclopropane is primarily used an intermediate in the manufacture of pharmaceutical and agrochemical products. It is also used in the production of cyclopropyl boric acid. It is used as an intermediate in organic synethesis.
調製方法
製造方法Bromocyclopropane has been prepared by the Hunsdiecker reaction by adding silver cyclopropanecarboxylate to bromine in dichlorodifluoromethane at 29° (53% yield) or in tetrachloroethane at 20° to 25° (15–20% yield). Decomposition of the peroxide of cyclopropanecarboxylic acid in the presence of carbon tetrabromide gave bromocyclopropane in 43% yield. An attempt to prepare the bromide via the von Braun reaction was unsuccessful. Ten percent yields are reported for the photobromination of cyclopropane and the photochemical rearrangement of allyl bromide. Treatment of 1,1,3-tribromopropane with methyllithium prepared from methyl bromide furnishes a 60–65% yield of bromocyclopropane.
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