기본 정보
- 표준 SMILES
CC(C)OP(OC(C)C)OC(C)C- InChIKey
SJHCUXCOGGKFAI-UHFFFAOYSA-N- 분자식
- C9H21O3P
- 평균 분자량
- 208.23 g/mol
- 단동위원소 질량
- 208.12283116
이름 및 식별자
- 우선 이름
- Triisopropyl phosphite
- IUPAC
- tripropan-2-yl phosphite
- 현지명
- 트리이소부틸포스파이트
- 영어명
- Triisopropyl phosphite
- 분자식
- C9H21O3P
- 분자량
- 208.24
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
116-17-6- PubChem CID
- 8304
- DTXSID
DTXSID9044372- ChEMBL
CHEMBL3560028- UNII
- RJ7QU4YQUN
- EC Number
- 204-130-0
- Nikkaji
- J2.902E
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 27.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 102
실험 및 물리화학적 성질
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
물리화학적 성질
- 끓는 점
- 63 · 63-64 °C11 mm Hg(lit.)
- 밀도
- 0.844 g/mL · 0.844 g/mL at 25 °C(lit.)
- 증기압
- 2 mm · <2 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.411(lit.)
- 인화점
- 154 °F · 154 °F
- 저장 조건
- -20 °C · -20°C
- 용해도
- Insoluble in water, soluble in benzene and other organic solvents.
- 물리적 상태
- 액체
- Specific Gravity
- 0.844 · 0.844
- 색상
- 투명한
- 수용성
- 불용성
- 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
- NIST
- Phosphorous acid, tris(1-methylethyl) ester(116-17-6)
- EPA
- Phosphorous acid, tris(1-methylethyl) ester (116-17-6)
화학적 성질
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.
안전 및 규제
GHS 분류
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.
유해성 정보
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.
안전 및 보호
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.
독성 정보
Non-Human Toxicity Values
LD50 Rat oral 167 mg/kg
LD50 Mouse ip 500 mg/kg
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TH2800000
- ridadr
- UN 3278 6.1/PG 3
- HS 번호
- 29209090
- risk_code
- 25-38-68
- hazard_code
- T,F
- safety_code
- 37-46-45-36/37
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-34328
- F 고인화성물질
- 1-10
- 위험 참고 사항
- Toxic/Flammable/Moisture Sensitive/
- Hazard Classifications
- Acute Tox. 3 OralSkin Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 유해 물질 데이터
- 116-17-6(Hazardous Substances Data)
화학 및 산업
용도 및 제조
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.
응용 분야
용도Triisopropyl 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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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