보릭산트리이소프로필에스테르
Triisopropyl borate
기본 정보
- CAS
5419-55-6- 표준 SMILES
CC(C)OB(OC(C)C)OC(C)C- InChIKey
NHDIQVFFNDKAQU-UHFFFAOYSA-N- 분자식
- C9H21BO3
- 평균 분자량
- 188.07 g/mol
- 단동위원소 질량
- 188.1583747
개요
Triisopropyl borate appears as a colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- Triisopropyl borate
- IUPAC
- tripropan-2-yl borate
- 현지명
- 보릭산트리이소프로필에스테르
- 영어명
- Triisopropyl borate
- 분자식
- C9H21BO3
- 분자량
- 188.07
이름 및 동의어
TRIISOPROPYL BORATE5419-55-6Isopropyl borateTriisopropyl orthoboratetri-i-PropylborateBoric acid (H3BO3), tris(1-methylethyl) esterBoric acid, tris(1-methylethyl) esterTris(1-methylethyl) borateDTXSID7027598EINECS 226-529-9YWV817MXF3UN2616
이름 더 보기
보릭산트리이소프로필에스테르트라이아이소프로필 붕소산TIPBB（OiPr）3Triisopropyl boratTriisoproyl borateBORON ISOPROPOXIDETRIISOPROPOXYBORANEtripropan-2-yl borateTRIISOPROPYL BORATE, 98+%BORIC ACID TRIISOPROPYL ESTER
BRN 1701469Boric acid, (H3BO3), triisopropyl esterAI3-61082NSC-9779UNII-YWV817MXF34-01-00-01488 (Beilstein Handbook Reference)ISOPROPYL BORATE ((C3H7O)3B)UN 2616
데이터베이스 식별자
- CAS
5419-55-6- PubChem CID
- 21531
- DTXSID
DTXSID7027598- ChEMBL
CHEMBL1902909- UNII
- YWV817MXF3
- EC Number
- 226-529-9
- Nikkaji
- J35.126A
물성
구조 계산 물성
- 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 Classes
Metals -> Metalloid Compounds (Boron)
Flammable agents - 3rd degree
Flash Point82 °F (NFPA, 2010)
Vapor Pressure8.6 [mmHg]
Physical Description
Triisopropyl borate appears as a colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air. Used to make other chemicals.
Liquid
Colorless liquid; [CAMEO] Colorless liquid with an alcohol-like odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -59 °C · -59 °C
- 끓는 점
- 139 · 139-141 °C (lit.)
- 밀도
- 0.815 g/mL · 0.815 g/mL at 25 °C (lit.)
- 증기압
- 76 mm · 76 mm Hg ( 75 °C)
- 굴절률
- 20 · n20/D 1.376(lit.)
- 인화점
- 62.6 °F · 62.6 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 에테르, 에탄올, 이소프로판올, 벤젠과 섞입니다.
- 물리적 상태
- 액체
- Specific Gravity
- 0.815 · 0.815
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (93.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Boric acid (H3BO3), tris(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Boric acid (H3BO3), 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)
REACH registered substance: Triisopropyl borate (EC: 226-529-9)
Boric acid, tris(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A mild eye irritant; Causes somnolence, respiratory depression, and diarrhea in oral lethal-dose studies of rats; Oral LD50 (mouse) = 2,500 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Isopropyl alcohol and Boric acid. See Triethyl borate.
화학 및 산업
용도 및 제조
UsesUsed to make other chemicals; [CAMEO] Used to make pharmaceuticals and as a lubricant additive; [Reference #1]
U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Boric acid (H3BO3), tris(1-methylethyl) ester: ACTIVE
응용 분야
용도Triisopropyl borate is used as reagent in Pd-catalyzed coupling reaction with aryl halides such as Suzuki reaction. It is used as a reagent for the preparation of the boronic acids and esters; as a Lewis acid catalyst and involved in the ortho-borylation of 1-substituted naphthalenes. Furthermore, it plays an important role as a catalyst for the production of resins, waxes, paints and varnishes.
일반 설명A colorless liquid. Flash point 93°F. Less dense than water and insoluble in water. Vapors heavier than air. Used to make other chemicals.
상·하류 제품 정보
하류 제품
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1,375건
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