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트리이소부틸포스파이트

Triisopropyl phosphite

HCID 8304
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
116-17-6
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

TRIISOPROPYL PHOSPHITE116-17-6tripropan-2-yl phosphitePhosphorous acid, tris(1-methylethyl) esterTri-2-propyl phosphiteTriisopropoxyphosphineIsopropyl phosphite, tri-TriisopropylphosphitePhosphorous acid, triisopropyl esterTri-2-propylphosphiteDTXSID9044372RJ7QU4YQUN
이름 더 보기
트라이아이소프로필아포스프산트리이소부틸포스파이트트라이아이소프로필 아포스프산TRIISOPROPYL PHOSIsopropyl phosphiteTriisopropyl phosphiTRISOPROPYL PHOSHITEtri-isopropylphosphitTRI-I-PROPYLPHOSPHITE
NSC-6516DTXCID7024372RefChem:191700204-130-0tris(propan-2-yl) phosphitePhosphorous Acid Triisopropyl EsterMFCD00008874Isopropyl phosphite, ((C3H7O)3P)

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 물성보충 중

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

Chemical ClassesOther Classes -> Phosphite Compounds
SpringerMaterials PropertiesOptical coefficient
OdorCharacteristic odor
Density0.9063 g/cu cm at 20 °C
Color/FormColorless liquid
Solubility · 2건

Soluble in alcohol, ether, chloroform

Miscible with most organic solvents; insoluble in water

Flash Point165 °F Open Cup; 73.9 °C Closed Cup
Boiling Point · 2건

94 to 96 °C at 50 mm Hg

BP: 74 °C at 20 mm Hg; 60 °C at 10 mm Hg

DecompositionWhen heated to decomposition it emits toxic fumes of /phosphorous oxide/.
Vapor Pressure0.27 [mmHg]
Refractive IndexIndex of refraction: 1.4085 at 25 °C
Physical DescriptionColorless liquid; [HSDB]

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

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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 · 4건

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.

Fire PotentialCombustible
Hazards SummaryToxic if ingested; An irritant; [Alfa Aesar MSDS]
DOT Emergency Guidelines · 5건

/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.

Hazard Classes and CategoriesAcute Tox. 3 (94%)

안전 및 보호

Disposal Methods · 1건

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 · 2건

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 · 4건

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 · 2건

(1972) No Data

(1975) No Data

U.S. Imports · 2건

(1972) No Data

(1975) No Data

U.S. Production · 4건

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]

Methods of ManufacturingReaction of phosphorus trichloride and isopropyl alcohol in the presence of a tertiary amine
General Manufacturing Information · 2건

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 · 1건

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

트리에틸아민삼염화 인이소프로필알코올석유 에테르

하류 제품

Triisopropyl phosphate테트라이소프로필디클로로메틸렌디포스포네이트비스(1-메틸에틸)메틸포스폰산 염디이소프로필 황산염Diethyl allylphosphonateTetraisopropyl methylenediphosphonate2,6-ditert-butyl-4-[di(propan-2-yloxy)phosphorylmethyl]phenol

관련 반응

99건
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