ビス(ジイソプロピルアミノ)クロロホスフィン

Bis(diisopropylamino)chlorophosphine

HCID 2733425CAS 56183-63-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)N(C(C)C)P(Cl)N(C(C)C)C(C)C
InChIKey: FEHUTHGOLLQBNW-UHFFFAOYSA-N
分子式: C12H28ClN2P
平均分子量: 266.79 g/mol
単同位体質量: 266.1678636

名称と識別子

優先名称: Bis(diisopropylamino)chlorophosphine
IUPAC: N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
現地名: ビス(ジイソプロピルアミノ)クロロホスフィン
英語名: BIS(DIISOPROPYLAMINO)CHLOROPHOSPHINE
分子式: C12H28ClN2P
分子量: 266.79

名称と別名

Bis(diisopropylamino)chlorophosphine56183-63-2DTXSID00369907RefChem:569062DTXCID10320943628-718-5MFCD00061482N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-aminePhosphorodiamidous chloride, tetrakis(1-methylethyl)-C12H28ClN2PSCHEMBL1117784bisdiisopropylaminochlorophosphine

名称をさらに表示

ビス(ジイソプロピルアミノ)クロロホスフィンビス(ジ-i-プロピルアミノ)クロロホスフィン, min. 97%Bis(diisopropyamino)chlorophosphineChlorobis(N,N-diisopropylamino)phosphineSKL629Bis(diisopropylaminodiisopropylaMino)phosphineChlorbis(diisopropylamino)phosphanChloro-di-N-(diisopropyl)-phosphiteBIS(DI-I-PROPYLAMINO)CHLOROPHOSPHINE

FEHUTHGOLLQBNW-UHFFFAOYSA-NGCA18363Bis(di-isopropylamino)chlorophosphineChloro(bis(diisopropylamino))phosphaneAKOS015910528bis(N,N-diisopropylamino)chlorophosphinebis-(N,N-diisopropylamino)chlorophosphineBP-14118

データベース識別子

CAS: 56183-63-2
PubChem CID: 2733425
DTXSID: DTXSID00369907
EC Number: 628-718-5
Nikkaji: J1.175.515A

物性

構造計算による物性

XLogP: 4.4
極性表面積: 6.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 159

物理化学的性質

融点: 100 · 100-104 °C(lit.)
沸点: 291 ℃ · 291℃
闪点: 130 ℃ · 130℃
貯蔵温度: Store under inert gas
外見: 粉
酸解離定数(Pka): 4.5 · 4.50±0.70(Predicted)
色: ホワイトからオフホワイト
InChI: InChI=1S/C12H28ClN2P/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8/h9-12H,1-8H3
InChIKey: FEHUTHGOLLQBNW-UHFFFAOYSA-N
SMILES: P(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)Cl
CAS データベース: 56183 · 56183-63-2(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (97.6%)

安全データ

wgk: 3
ridadr: UN 3261 8/PG 1
hs_code: 29310099
risk_code: 14-34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

説明Bis(diisopropylamino)chlorophosphine is a white to off-white powder to crystalline organophosphorus compound, mainly used as an organic synthetic raw material or reaction reagent. It can be used in the synthesis of mixed phosphorothioate and methylenephosphine derivatives, etc. It is commonly used in chemical production and laboratory research.

使用Bis(diisopropylamino)chlorophosphine has been used in the synthesis of tert-butyl tetraisopropylphosphorodiamidite ligand for palladium-catalyzed Buchwald–Hartwig amination reaction.It is also can be used to synthesize:acyclic N-phosphonio imine catalyst for selective epoxidationsboryl-substituted methylenephosphonium derivatives