基本情報
- 標準SMILES
CCCCP(CCCC)CCCC- InChIKey
TUQOTMZNTHZOKS-UHFFFAOYSA-N- 分子式
- C12H27P
- 平均分子量
- 202.32 g/mol
- 単同位体質量
- 202.18503749
概要
Tributylphosphine is a colorless to yellowish liquid with a strong garlic-like odor. It is insoluble in water. It is liable to heat and ignite spontaneously in air. If involved in a fire phosphine gas, a highly flammable and toxic gas, will evolve. It is irritating to mucous membranes.
名称と識別子
- 優先名称
- Tributylphosphine
- IUPAC
- tributylphosphane
- 現地名
- トリブチルホスフィン
- 英語名
- Tributylphosphine
- 分子式
- C12H27P
- 分子量
- 202.32
名称と別名
TributylphosphineTributylphosphaneTri-n-butylphosphine998-40-3Phosphine, tributyl-Tris(butyl)phosphineTributylfosfinDTXSID90469980O52FJR7WNUN3254NSC-91700DTXCID7026998
名称をさらに表示
トリブチルホスフィントリブチルホスファントリnブチルホスフィントリ-N-ブチルホスフィントリーn-ブチルホスフィントリブチル フォスフィントリ‐N‐ブチルホスフィン1MOL/L トリ-N-ブチルホスフィン・トルエン溶液トリブチルホスフィン 溶液トリ-n-ブチルホスフィン, 99% (10 wt% in hexanes)TBUPP(n-Bu)3cytop 340TributylphosphorusNSC 91700(n-C4H9)3PCYTOP(R) 340
RefChem:190921213-651-2tributyl phosphineTri-n-butyl phosphinetributyl-phosphaneMFCD00009462Bu3PPBu3
データベース識別子
- CAS
998-40-3- PubChem CID
- 13831
- DTXSID
DTXSID9046998- ChEMBL
CHEMBL3185473- UNII
- 0O52FJR7WN
- EC Number
- 213-651-2
- Nikkaji
- J56.131B
物性
構造計算による物性
- XLogP
- 3.7
- 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
- 9
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 72.1
実験および物理化学的性質
Chemical ClassesOther Classes -> Phosphorus Compounds
Density0.812 @25 °C
Boiling Point240 °C @760 [mm Hg]
Vapor Pressure16 [mm Hg] @121 °C
Physical Description
Tributylphosphine is a colorless to yellowish liquid with a strong garlic-like odor. It is insoluble in water. It is liable to heat and ignite spontaneously in air. If involved in a fire phosphine gas, a highly flammable and toxic gas, will evolve. It is irritating to mucous membranes.
Liquid
Colorless to yellowish liquid with a strong odor like garlic; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -65 °C · -65 °C
- 沸点
- 150 °C50 · 150 °C50 mm Hg(lit.)
- 比重(密度)
- 0.81 g/mL · 0.81 g/mL at 25 °C(lit.)
- 蒸気密度
- 9 · 9 (vs air)
- 蒸気圧
- 1.9 Pa · 1.9Pa at 20℃
- 屈折率
- 20 · n20/D 1.462(lit.)
- 闪点
- 99 °F · 99 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 色
- 無色透明～淡黄色
- 比重
- 0.82 · 0.820 (20/4℃)
- 水溶解度
- 不溶性
- BRN
- 1738261 · 1738261
- 安定性
- 安定しているが、空気中で自然発火しやすい。酸化剤と相容れない。湿気に敏感。
- InChI
- 1S/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
- InChIKey
- TUQOTMZNTHZOKS-UHFFFAOYSA-N
- SMILES
- CCCCP(CCCC)CCCC
- CAS データベース
- 998 · 998-40-3(CAS DataBase Reference)
- NISTの化学物質情報
- Phosphine, tributyl-(998-40-3)
- EPAの化学物質情報
- Phosphine, tributyl- (998-40-3)
化学的性質
化学的特性Tributylphosphine is a clear liquid with a nauseating odor. It reacts slowly with atmospheric oxygen, and rapidly with other oxidizing agents.
安全と法規制
GHS分類
GHS Classification
Danger
H226 (15.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P222, P231, P233, P235, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 287 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Danger
危険有害性情報
Regulatory Information
Chemical: Phosphine, tributyl-
Phosphine, tributyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphine, tributyl- 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: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18531
Phosphine, tributyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelSpontaneously Combustible
Fire Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Fire will produce irritating, corrosive and/or toxic gases.
Hazards Summary
Pyrophoric; May ignite on contact with water or moisture; [CAMEO] Causes burns; [EPA OHM/TADS] Pyrophoric; Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion and skin absorption; [Sigma-Aldrich MSDS] See Triphenylphosphine and tert-Butylphosphine.
DOT ID and Guide3254 135
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity ProfileOrganophosphines, such as TRIBUTYLPHOSPHANE, are susceptible to partial oxidation by oxidizing agents, resulting in the release of phosphine oxides.
DOT Hazard Classification
Tributylphosphane
UN3254
Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)
PG I: the degree of danger presented by the material is great
Air and Water ReactionsHighly flammable. May ignite on contact with air or moist air. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (15.7%)
Pyrophoric liquids - Category 1
安全と保護具
Fire FightingExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Isolation and Evacuation
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Immediate precautionary measure
Protective Action Criteria (PAC)
2.3 [mg/m3]
25 [mg/m3]
150 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Emergency Response Planning Guidelines· DO NOT USE WATER, CO2 OR FOAM ON MATERIAL ITSELF.
毒性情報
Adverse EffectsDermatotoxin - Skin burns.
安全データ
- F
- 10-13-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SZ3270000
- ridadr
- UN 3254
- hs_code
- 29319090
- risk_code
- 36/38-34-21/22-17-11-37-36/37/38-61
- 化審法
- (2)-1878
- 消防法
- 危-4-3-III
- hazard_code
- Xi,F,C,T
- safety_code
- 41-36/37/39-26-16-45-43-17-5-53
- hazard_class
- 4.2
- packing_group
- I
- 自然発火温度
- 392 °F
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Repr. 1BSkin Corr. 1ASTOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Uses
Used as a polymerization cross-linking catalyst, organic intermediate, and as a catalyst component for hydrogenation in the petroleum industry; [EPA OHM/TADS]
Petroleum Production and Refining [Category: Industry]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Phosphine, tributyl-: ACTIVE
応用分野
解説トリブチルホスフィン，三ハロゲン化リンと対応するグリニャール試薬との反応により合成される．無色の液体．沸点240～242.2 ℃．1.4614．0.8118．悪臭を放ち有毒である．エタノール，エーテルに可溶，水に不溶．遷移金属錯体の配位子として利用される．
用途相間移動触媒、有機合成用。
用途エポキシドと過酸化物の脱酸素の試薬、チイランの脱硫、ポリサルファイド
使用Tributylphosphine is usually used as catalyst for Domino reactions of activated conjugated dienes with β,γ-unsaturated-α-ketoesters, [3+2]-Cycloadditions,Umpolung addition reactions,Reductive carbonylation, Allylation reactions.
一般的な説明Tributylphosphane is a colorless to yellowish liquid with a strong garlic-like odor. Tributylphosphane is insoluble in water. Tributylphosphane is liable to heat and ignite spontaneously in air. If involved in a fire phosphine gas, a highly flammable and toxic gas, will evolve. Tributylphosphane is irritating to mucous membranes.
調製方法
純化方法Fractionally distil it under reduced pressure in an inert atmosphere (N2) through an 8inch gauze-packed column (b 110-111o/10mm) and redistil it in a vacuum, then seal it in thin glass ampoules. It is easily oxidised by air to tri-n-butylphosphine oxide, b 293-296o/745mm. It has a characteristic odour, it is soluble in EtOH, Et2O, and *C6H6 but is insoluble in H2O and less easily oxidised by air than the lower molecular weight phosphines. It forms complexes, e.g. with CS2 (1:1) m 65.5o (from EtOH). [Davies & Jones J Chem Soc 33 1929, Chernick & Skinner J Chem Soc 1401 1956, Beilstein 4 IV 3436.]
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