基本情報
- CAS
1079-66-9- 標準SMILES
ClP(c1ccccc1)c1ccccc1- InChIKey
XGRJZXREYAXTGV-UHFFFAOYSA-N- 分子式
- C12H10ClP
- 平均分子量
- 220.63 g/mol
- 単同位体質量
- 220.02086463
名称と識別子
- 優先名称
- Chlorodiphenylphosphine
- IUPAC
- chloro(diphenyl)phosphane
- 現地名
- クロロジフェニルホスフィン
- 英語名
- Chlorodiphenylphosphine
- 分子式
- C12H10ClP
- 分子量
- 220.63
名称と別名
名称をさらに表示
データベース識別子
- CAS
1079-66-9- PubChem CID
- 66180
- DTXSID
DTXSID7038789- UNII
- WO975PJK1Y
- EC Number
- 214-093-2
- Nikkaji
- J24.880K
物性
構造計算による物性
- XLogP
- 3.8
- 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
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 142
実験および物理化学的性質
物理化学的性質
- 融点
- 14 · 14-16°C
- 沸点
- 320 °C · 320 °C(lit.)
- 比重(密度)
- 1.229 g/mL · 1.229 g/mL at 25 °C(lit.)
- 蒸気密度
- 7.8 · 7.8 (vs air)
- 蒸気圧
- 1.3 hPa · 1.3 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.636(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- アルコールと混和します。アンモニアとわずかに混和する。
- 外見
- 液体
- 色
- 無色~黄色
- 比重
- 1.229 · 1.229
- 水溶解度
- 激しく反応する
- BRN
- 512032 · 512032
- InChI
- 1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- InChIKey
- XGRJZXREYAXTGV-UHFFFAOYSA-N
- SMILES
- ClP(c1ccccc1)c2ccccc2
- LogP
- 5.33 · 5.330 (est)
- CAS データベース
- 1079 · 1079-66-9(CAS DataBase Reference)
- NISTの化学物質情報
- Chlorodiphenylphosphine(1079-66-9)
- EPAの化学物質情報
- Phosphinous chloride, diphenyl- (1079-66-9)
化学的性質
化学的特性Colorless to light yellow liqui
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 212) of reports.
Danger
H290 (67%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 212 reports by companies from 19 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: Phosphinous chloride, diphenyl-
Status: Active Update: 07-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24379
Chlorodiphenylphosphine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Reacts violently with water; Causes burns and lachrymation; [Merck Index] Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Triphenylphosphine oxide.
毒性情報
安全データ
- F
- 1-9-19
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- 毒性
- LD50 orally in Rabbit: 316 mg/kg
- hs_code
- 29310095
- risk_code
- 14-34-29-36
- 化審法
- (3)-3943
- 消防法
- 危-4-3-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45-8-30-25-27
- hazard_class
- 8
- packing_group
- II
- 自然発火温度
- 320 °C
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
応用分野
用途有機合成原料。
使用Chlorodiphenylphosphine is used to introduce the diphenylphosphinyl moiety by aryl ortho-lithiation. It is also used as an intermediate to make antioxidants, flame retardants, stabilizers, catalysts, photoinitiators, and optical brighteners. Used as a halogenation reagent for the conversion of alcohols into halides, in the preparation of solid-phase reagent for the conversion of alcohols to alkyl halides.
調製方法
The specific synthesis steps of Chlorodiphenylphosphine are as follows: In a sealed NMR tube filled with argon,Dissolve Ph2P (O) H (0.05 mmol) in 0.5 mL of tetrahydrofuran,Add acetyl chloride (the amount of acetyl chloride added is 1.2 times the equivalent of Ph2P (O) H),The mixture was reacted at 100 ° C for 12 hours with a yield of 99%.
合成方法PhPCl2の不均化により製造される
純化方法This air-sensitive, pale yellow lachrymatory liquid is purified by careful fractional distillation and discarding the lower boiling fraction which contains the main impurity PhPCl2 (b 48-51o/0.7mm), and checking for impurities by NMR. [Weinberg J Org Chem 40 3586 1975, Honer et al. Chem Ber 94 2122 1961, Beilstein 16 IV 969.]
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