트리이소부틸포스파이트

트라이아이소프로필아포스프산 · 트리이소부틸포스파이트 · 트라이아이소프로필 아포스프산 · TRIISOPROPYL PHOS · Isopropyl phosphite · Triisopropyl phosphi · TRISOPROPYL PHOSHITE · tri-2-propylphosphite

https://huagongshe.com/ko/chemical/8304

식별자 및 물리적 특성

CAS No.	116-17-6
분자식	C9H21O3P
평균 분자량	208.23 g/mol
단동위원소 질량	208.12283116 g/mol
SMILES	CC(C)OP(OC(C)C)OC(C)C
InChIKey	SJHCUXCOGGKFAI-UHFFFAOYSA-N
PubChem CID	8304
ChEMBL	CHEMBL3560028
EC No.	204-130-0
DTXSID	DTXSID9044372
현지명	트리이소부틸포스파이트

화학 및 물리적 성질

XLogP	2.5
극성 표면적	27.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	6
무거운 원자 수	13
형식 전하	0
복잡도	102
물질 분류	Other Classes -> Phosphite Compounds
SpringerMaterials Properties	Optical coefficient
냄새	Characteristic odor
밀도	0.9063 g/cu cm at 20 °C0.844 g/mL at 25 °C(lit.)
Color/Form	Colorless liquid
용해도	Soluble in alcohol, ether, chloroformMiscible with most organic solventsinsoluble in waterInsoluble in water, soluble in benzene and other organic solvents.
인화점	165 °F Open Cup73.9 °C Closed Cup154 °F
끓는 점	94 to 96 °C at 50 mm HgBP: 74 °C at 20 mm Hg60 °C at 10 mm Hg63-64 °C11 mm Hg(lit.)
Decomposition	When heated to decomposition it emits toxic fumes of /phosphorous oxide/.
증기압	0.27 [mmHg]<2 mm Hg ( 20 °C)
굴절률	Index of refraction: 1.4085 at 25 °Cn20/D 1.411(lit.)
Physical Description	Colorless liquid[HSDB]
저장 조건	-20°C
물리적 상태	액체
비중	0.844
색상	투명한
용해도	불용성
BRN	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(분배 계수)	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	DangerH301 (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.
규제 정보	Chemical: Phosphorous acid, tris(1-methylethyl) esterPhosphorous 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/10512Phosphorous 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.
화재 가능성	Combustible
유해성 요약	Toxic if ingestedAn irritant[Alfa Aesar MSDS]
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, NOSOrganophosphorus compound, toxic, liquid, NOSOrganophosphorus compound, poisonous, NOSOrganophosphorus 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/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

용도

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.