基本情報
- 標準SMILES
c1ccc(B(c2ccccc2)c2ccccc2)cc1- InChIKey
MXSVLWZRHLXFKH-UHFFFAOYSA-N- 分子式
- C18H15B
- 平均分子量
- 242.1 g/mol
- 単同位体質量
- 242.12668088
名称と識別子
- 優先名称
- Triphenylborane
- IUPAC
- triphenylborane
- 現地名
- トリフェニルほう素
- 英語名
- Triphenylborane
- 分子式
- C18H15B
- 分子量
- 242.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
960-71-4- PubChem CID
- 70400
- DTXSID
DTXSID6027345- ChEMBL
CHEMBL1876579- UNII
- 6282553L0G
- EC Number
- 213-504-2
- Nikkaji
- J121.102A
物性
構造計算による物性
- 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
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 202
実験および物理化学的性質
物理化学的性質
- 融点
- 145 °C · 145 °C (lit.)
- 沸点
- 203 °C/15 · 203 °C/15 mmHg (lit.)
- 比重(密度)
- 0.898 g/mL · 0.898 g/mL at 25 °C
- 闪点
- 1 °F · 1 °F
- 貯蔵温度
- 2 · Storage temp. 2-8°C
- 外見
- 粉
- 色
- オフホワイト
- 水溶解度
- 芳香族溶剤に可溶。水に不溶。
- BRN
- 1961313 · 1961313
- InChI
- 1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChIKey
- MXSVLWZRHLXFKH-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)B(c2ccccc2)c3ccccc3
- CAS データベース
- 960 · 960-71-4(CAS DataBase Reference)
- EPAの化学物質情報
- Borane, triphenyl- (960-71-4)
安全と法規制
GHS分類
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Borane, triphenyl-
Borane, triphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Borane, triphenyl- 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)
Borane, triphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Rapidly hydrolyzes; Shipped as the sodium hydroxide adduct in aqueous solution; Corrosive to skin and severely irritating to eyes in rabbits; Not a skin sensitizer in guinea pigs; [EPA ChAMP: Screening Level Hazard Characterization: Triphenylboron Category - 2009] Reproductive toxicity observed in oral study of rats at 10 mg/kg/day; One female failed to conceive, 5 of 9 mated females delivered, and the mean number of pups per litter was significantly reduced; Initial histopathology revealed adverse effects to semen; [EPA - TSCATS] Decomposed by water; A severe eye irritant that may cause eye injury; [Alfa Aesar MSDS] See Tri-n-butylborane.
安全と保護具
Protective Action Criteria (PAC)
0.59 [mg/m3]
6.5 [mg/m3]
39 [mg/m3]
毒性情報
Adverse Effects
Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.
安全データ
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ED2367500
- ridadr
- UN 1993 3/PG 2
- risk_code
- 11-36/37/38-22-19-40-36/37
- hazard_code
- F,Xn
- safety_code
- 16-26-33-36-24/25-22-36/37
- hazard_class
- 4.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
Uses
A monofunctional Lewis acid; Not currently commercially marketed; Possible applications include olefin polymerization, agrochemicals, metal scavenging, and consumer products (i.e. fuel additives and flame retardants); [EPA ChAMP: Screening Level Hazard Characterization: Triphenylboron Category - 2009]
応用分野
使用TRIPHENYLBORANE is a type of Lewis acid used as catalyst and intermediate.
調製方法
純化方法Recrystallise the borane three times from Et2O or *C6H6 under N2 and dry it at 130o. It can be distilled in a high vacuum at 300-350o and has been distilled (b 195-215o/~15mm) in vacuum using a bath temperature of 240-330o. N2 is introduced into the apparatus before dismantling. It forms complexes with amines. [Nielsen et al. Chem Ind (London) 1069 1957, Wittig et al. Justus Liebigs Ann Chem 563 110 1949, Bent & Dorfman J Am Chem Soc 57 1259 1935, Beilstein 16 IV 1623.]
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