基本情報
- 標準SMILES
CC(C)OP(OC(C)C)OC(C)C- InChIKey
SJHCUXCOGGKFAI-UHFFFAOYSA-N- 分子式
- C9H21O3P
- 平均分子量
- 208.23 g/mol
- 単同位体質量
- 208.12283116
名称と識別子
- 優先名称
- Triisopropyl phosphite
- IUPAC
- tripropan-2-yl phosphite
- 現地名
- 亜りん酸 トリイソプロピル
- 英語名
- Triisopropyl phosphite
- 分子式
- C9H21O3P
- 分子量
- 208.24
名称と別名
名称をさらに表示
データベース識別子
- CAS
116-17-6- PubChem CID
- 8304
- DTXSID
DTXSID9044372- ChEMBL
CHEMBL3560028- UNII
- RJ7QU4YQUN
- EC Number
- 204-130-0
- Nikkaji
- J2.902E
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 27.7 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
- 6
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 102
実験および物理化学的性質
Solubility
Soluble in alcohol, ether, chloroform
Miscible with most organic solvents; insoluble in water
Boiling Point
94 to 96 °C at 50 mm Hg
BP: 74 °C at 20 mm Hg; 60 °C at 10 mm Hg
物理化学的性質
- 沸点
- 63 · 63-64 °C11 mm Hg(lit.)
- 比重(密度)
- 0.844 g/mL · 0.844 g/mL at 25 °C(lit.)
- 蒸気圧
- 2 mm · <2 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.411(lit.)
- 闪点
- 154 °F · 154 °F
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- Insoluble in water, soluble in benzene and other organic solvents.
- 外見
- 液体
- 比重
- 0.844 · 0.844
- 色
- クリア
- 水溶解度
- 不溶性
- BRN
- 1701528 · 1701528
- InChI
- 1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
- InChIKey
- SJHCUXCOGGKFAI-UHFFFAOYSA-N
- SMILES
- CC(C)OP(OC(C)C)OC(C)C
- LogP
- 2 · 2
- CAS データベース
- 116 · 116-17-6(CAS DataBase Reference)
- NISTの化学物質情報
- Phosphorous acid, tris(1-methylethyl) ester(116-17-6)
- EPAの化学物質情報
- Phosphorous acid, tris(1-methylethyl) ester (116-17-6)
化学的性質
化学的特性Colorless liquid; characteristic odor. Miscible with most common organic solvents; insoluble in water; hydrolyzes slowly in water; exposure to air should be minimum; high thermal stability. Combustible.
安全と法規制
GHS分類
GHS Classification
Danger
H301 (94%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 5 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: Phosphorous acid, tris(1-methylethyl) ester
Phosphorous acid, tris(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorous acid, tris(1-methylethyl) ester 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: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10512
Phosphorous acid, tris(1-methylethyl) ester: 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 Emergency Guidelines
/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Organophosphorus compound, poisonous, liquid, NOS; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/
/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. /Organophosphorus compound, poisonous, liquid, NOS; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/
/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at lease 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /Organophosphorus compound, poisonous, liquid, NOS; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/
/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Organophosphorus compound, poisonous, liquid, NOS; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/
For more DOT Emergency Guidelines (Complete) data for TRIISOPROPYL PHOSPHITE (8 total), please visit the HSDB record page.
安全と保護具
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
毒性情報
Non-Human Toxicity Values
LD50 Rat oral 167 mg/kg
LD50 Mouse ip 500 mg/kg
安全データ
- F
- 1-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TH2800000
- ridadr
- UN 3278 6.1/PG 3
- hs_code
- 29209090
- risk_code
- 25-38-68
- 消防法
- 危-4-2-III
- hazard_code
- T,F
- hazard_note
- Toxic/Flammable/Moisture Sensitive/
- safety_code
- 37-46-45-36/37
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralSkin Irrit. 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 有毒物質データの
- 116-17-6(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as a lubricant additive, specialty solvent, antioxidant, and intermediate for insecticides; Could be used as a precursor for chemical weapons; [HSDB]
Intermediate for insecticides, component of vinyl stabilizers, lubricant additive, specialty solvent.
Antioxidant
Schedule 3 Precursor. Guidelines for Schedule 3: The following criteria shall be taken into account in considering whether a toxic chemical or precursor, not listed in other Schedules, should be included in Schedule 3: (a) It has been produced, stockpiled or used as a chemical weapon; (b) It poses otherwise a risk to the object and purpose of this Convention because it possesses such lethal or incapacitating toxicity as well as other properties that might enable it to be used as a chemical weapon; (c) It poses a risk to the object and purpose of this Convention by virtue of its importance in the production of one or more chemicals listed in Schedule 1 or Schedule 2, part B; (d) It may be produced in large commercial quantities for purposes not prohibited under this Convention.
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
2023: <50,000 lb
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4055]
General Manufacturing Information
Phosphorous acid, tris(1-methylethyl) ester: ACTIVE
On December 29, 2004, the Department of Commerce Bureau of Industry and Security announced the implementation of the Understandings Reached at the June 2004 Australia Group (AG). Among several items, this rule adds the following four precursor chemicals to the list of chemicals in Export Control Classification Number (ECCN) 1C350.d that may be used as precursors to toxic chemical agents: Tri-isopropyl phosphite; O,O-diethyl phosphorothioate; O,O-diethyl phosphorodithioate; and Sodium hexafluorosilicate.
応用分野
使用Triisopropyl phosphite can be used as a reactant:With Ru-based indenylidene complexes to form 1st generation complexes for metathesis reactions.In Perkow-type reaction to synthesize compounds containing polarized carbon-carbon double bonds.For the synthesis of phosphonohydrazines by reacting with arylamines and isoamyl nitrite.It can also be used as an alternative to triphenylphosphine in Mitsunobu reaction to facilitate the isolation of products.
調製方法
純化方法Distil it from sodium, under vacuum, through a column packed with glass helices. (This removes any dialkyl phosphonate.) [Ford-Moore & Williams J Chem Soc 1465 1947, Arbuzov Chem Ber 38 1171 1905, see Verkade & Coskren in Organo Phosphorus Compound (Kosolapoff & Maier eds) Wiley Vol 2 pp 1-187 1972, Beilstein 1 IV 1476.]
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