基本情報
- CAS
90-93-7- 標準SMILES
CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1- InChIKey
VYHBFRJRBHMIQZ-UHFFFAOYSA-N- 分子式
- C21H28N2O
- 平均分子量
- 324.5 g/mol
- 単同位体質量
- 324.22016352
名称と識別子
- 優先名称
- 4,4'-Bis(diethylamino)benzophenone
- IUPAC
- bis[4-(diethylamino)phenyl]methanone
- 現地名
- 4,4'-ビス(ジエチルアミノ)ベンゾフェノン
- 英語名
- 4,4'-Bis(diethylamino) benzophenone
- 分子式
- C21H28N2O
- 分子量
- 324.46
名称と別名
90-93-74,4'-Bis(diethylamino)benzophenone4,4-Bis(diethylamino)benzophenoneMethanone, bis[4-(diethylamino)phenyl]-Ethyl Michler ketoneNarucure CSEINECS 202-025-4Methanone, bis(4-(diethylamino)phenyl)-4,4'-DiethylaminobenzophenoneDTXSID7059014RefChem:96215DTXCID4048698
名称をさらに表示
4,4'-ビス(ジエチルアミノ)ベンゾフェノン4,4'-カルボニルビス(N,N-ジエチルアニリン)ビス[4-(ジエチルアミノ)フェニル]ケトンビス[4-(ジエチルアミノ)フェニル]メタノンMichler'sエチルケトン4,4′-ビス(ジエチルアミノ)ベンゾフェノンN,N,N',N'-テトラエチル-4,4'-ジアミノベンゾフェノン4，4’-ビス（ジエチルアミノ）ベンゾフェノン4,4′‐ビス(ジエチルアミノ)ベンゾフェノンMICHLER ETHYLKETONEPI-EMKOMNIRAD EMKAPi-EMKYF-PI EABHRcure-EMKIHT-PI EMKJADEWIN EMK
202-025-4VYHBFRJRBHMIQZ-UHFFFAOYSA-NBis(4-(diethylamino)phenyl)methanoneMichler's ethyl ketone4,4'-Bis(diethylamino) benzophenoneBis[4-(diethylamino)phenyl]methanone4,4-Bis(diethylamino) benzophenone4,4'-(Tetraethyldiamino)benzophenone
データベース識別子
- CAS
90-93-7- PubChem CID
- 66663
- DTXSID
DTXSID7059014- EC Number
- 202-025-4
- Nikkaji
- J56.232G
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 23.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 8
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 326
実験および物理化学的性質
Physical DescriptionDry Powder
物理化学的性質
- 融点
- 89 · 89-92 °C(lit.)
- 沸点
- 475.7 · 475.7±30.0 °C(Predicted)
- 比重(密度)
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 闪点
- 151 °C · 151 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 酸解離定数(Pka)
- 4.14 · 4.14±0.32(Predicted)
- 外見
- 結晶粒
- 色
- 黄色から黄緑色
- PH
- 4 · 4-6 (50g/l, H2O, 20℃)
- 水溶解度
- 不溶性
- BRN
- 2148611 · 2148611
- InChI
- 1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3
- InChIKey
- VYHBFRJRBHMIQZ-UHFFFAOYSA-N
- SMILES
- CCN(C1=CC=C(C(C2=CC=C(N(CC)CC)C=C2)=O)C=C1)CC
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 191) of reports.
Warning
H315 (36.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 15 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: Methanone, bis[4-(diethylamino)phenyl]-
Methanone, bis[4-(diethylamino)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, bis[4-(diethylamino)phenyl]- 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)
Status: Cease Manufacture Update: 22-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27600
Michler ethylketone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (36.1%)
安全データ
- F
- 8
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OS9545500
- ridadr
- UN 3077 9/PG 3
- 毒性
- LD50 orally in Rabbit: 5000 mg/kg
- hs_code
- 29223990
- risk_code
- 36/37/38-50/53
- 化審法
- (4)-893
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesPhotosensitive agent
Industry UsesPhotosensitive agent
General Manufacturing Information
Not Known or Reasonably Ascertainable
Methanone, bis[4-(diethylamino)phenyl]-: ACTIVE
応用分野
説明4,4'-Bis(diethylamino) benzophenone is a highly efficient type II free radical photoinitiator that can initiate polymerization of oligomers under ultraviolet light. In addition, tetraethyl Michler's ketone is also an intermediate in the production of basic brilliant blue dye BO and triphenylmethane chemicals.
調製方法
純化方法Crystallise the phenone from EtOH (25mL/g) and dry it under vacuum. Its picrate forms yellow needles from EtOH with m 178.5o. [Beilstein 14 II 59.]
上流・下流製品情報
上流原料
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