シクロブタノン

Cyclobutanone

HCID 14496CAS 1191-95-3

基本情報

標準SMILES
O=C1CCC1
InChIKey
SHQSVMDWKBRBGB-UHFFFAOYSA-N
分子式
C4H6O
平均分子量
70.09 g/mol
単同位体質量
70.04186481

名称と識別子

優先名称
Cyclobutanone
IUPAC
cyclobutanone
現地名
シクロブタノン
英語名
Cyclobutanone
分子式
C4H6O
分子量
70.09

名称と別名

CYCLOBUTANONE1191-95-3MFCD00001332NSC 876326PF2SH405UNSC-87632cyclobutanoncylcobutanonecylobutanoneUNII-6PF2SH405U3-cyclobutanoneEINECS 214-745-6
名称をさらに表示
シクロブタノンシクロブタン-1-オンシクロブタノン (stabilized with 0.1% BHT)CBONobutanoneOxocyclobutane1-OxocyclobutaneCyclobutanone 98%Cyclobutanone, 97%Cyclobutanone, 98+%OS-7558Cyclobutanonecyclobutanone(SALTDATA: FREE)
Cyclobutanone, 99%AI3-37787SCHEMBL276387SCHEMBL290757SCHEMBL388722SCHEMBL9323692DTXSID9061592NSC87632

データベース識別子

CAS
1191-95-3
PubChem CID
14496
DTXSID
DTXSID9061592
UNII
6PF2SH405U
EC Number
214-745-6
Nikkaji
J80.072D

物性

構造計算による物性

XLogP
0
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
5

実験および物理化学的性質

Vapor Pressure43.0 [mmHg]
Physical DescriptionColorless liquid; [MSDSonline]
Kovats Retention Index639;641;642;639;641;645;647;633

物理化学的性質

融点
-50.9 °C · -50.9 °C
沸点
99 °C · 99 °C (lit.)
比重(密度)
0.938 g/mL · 0.938 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.421(lit.)
闪点
50 °F · 50 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Clear colourless to slightly yellow liquid

化学性质シクロブタノンは無色の液体であり特有の甘く鋭い匂いがあります沸点は約155°Cと比較的高く可燃性がありますこの化合物は光や熱に対して比較的安定でありながらも酸化によって容易に分解することができるため多くの化学反応で有用です

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (23.2%): Highly Flammable liquid and vapor [Danger Flammable liquids];H226 (76.8%): 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 56 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationCyclobutanone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [MSDSonline] See Cyclohexanone and Cyclopentanone.
Hazard Classes and CategoriesFlam. Liq. 2 (23.2%);Flam. Liq. 3 (76.8%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

法規制情報

Regulatory InformationCyclobutanone: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
hs_code
29142900
risk_code
10-11
消防法
危-4-1-II

化学と産業

用途と製造

General Manufacturing InformationCyclobutanone: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用Cyclobutanone is used in preparation of cyclobutane derivatives. It is used as a starting material for aminocyclobutanecarboxylic acid through sulfonyloxiranes. It is also used to prepare dihydro-furan-2-one in presence of polystyrene-bound phenylselenic acid as catalyst. Further, it is involved in the photochemical synthesis of nucleoside analogues such as bicyclic nucleosides and isonucleosides.

調製方法 · 2 件

製造方法The Russian chemist Nikolai Kischner first prepared cyclobutanone in 1905. He synthesized cyclobutanone in a low yield from cyclobutanecarboxylic acid in several reaction steps.Another synthesis of cyclobutanone involves lithium-catalyzed rearrangement of oxaspiropentane, which is formed by epoxidation of the easily accessible methylenecyclopropane.

純化方法Treat cyclobutanone with dilute aqueous KMnO4, dry it with molecular sieves and fractionally distil it. Purify it via the semicarbazone, then regenerate the ketone, dry it (CaSO4), and distil it in a stainless steel spinning-band (or Vigreux, p 11) column. Alternatively, purify it by preparative gas chromatography using a Carbowax 20-M column at 80o. (This treatment also removes acetone). The oxime has m 84-85o (from pet ether) and the semicarbazone has m 212-212-5o (220-221o from MeOH or H2O, Buchanan et al. J Am Chem Soc 64 2701 1942). [Salaun Org Synth 57 36 1977, Fitzer & Quabeck Synthesis 299 1987, Beilstein 7 IV 3.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
四川伟博贸易有限公司028-65199188 13880582998 · [email protected]

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