트리이소프로필벤젠-1,3,5
1,3,5-Triisopropylbenzene
기본 정보
- CAS
27322-34-5- 표준 SMILES
CC(C)c1cc(C(C)C)cc(C(C)C)c1- InChIKey
VUMCUSHVMYIRMB-UHFFFAOYSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1,3,5-Triisopropylbenzene
- IUPAC
- 1,3,5-tri(propan-2-yl)benzene
- 현지명
- 트리이소프로필벤젠-1,3,5
- 영어명
- 1,3,5-Triisopropylbenzene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
1,3,5-TRIISOPROPYLBENZENE717-74-82,4,6-TriisopropylbenzeneBenzene, 1,3,5-tris(1-methylethyl)-Benzene, 1,3,5-triisopropyl-DTXSID40412321,3,5-tris(1-methylethyl)benzeneFR9Y346WPBNSC-403075DTXCID2021232RefChem:906831211-941-3
이름 더 보기
1,3,5-트라이아이소프로필벤젠트리이소프로필벤젠-1,3,51,3,5-TriisopropyLbenzene,1,3,5-tris(1-methylethyl)-1,3,5-Triisopropylbenzol1,3,5-Tri-i-propylbenzene1,3,5-Tris(isopropyl)benzene1,3,5-Triisopropylbenzene,95%1,3,5-Triisopropylbenzene 95%
1,3,5-tri(propan-2-yl)benzene1,3,5-tris(propan-2-yl)benzeneMFCD0000889027322-34-5UNII-FR9Y346WPBEINECS 211-941-3NSC403075NSC 403075
데이터베이스 식별자
- CAS
27322-34-5、717-74-8- PubChem CID
- 12860
- DTXSID
DTXSID4041232- ChEMBL
CHEMBL3187859- UNII
- FR9Y346WPB
- EC Number
- 211-941-3
- Nikkaji
- J540A
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 133
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
Vapor Pressure0.02 [mmHg]
Physical Description
Liquid
Clear colorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -14 · -14--11°C
- 끓는 점
- 232 · 232-236 °C (lit.)
- 밀도
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- 증기압
- 0.91 Pa · 0.91Pa at 25℃
- 굴절률
- 20 · n20/D 1.488(lit.)
- 인화점
- 188 °F · 188 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 액체
- Specific Gravity
- 0.845 · 0.845
- 색상
- 무색의
- 수용성
- 물과 섞이지 않습니다.
- BRN
- 1862750 · 1862750
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 10.2% (13 of 128) of reports.
Danger
H304 (57.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P273, P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzene, 1,3,5-tris(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-tris(1-methylethyl)- 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: 1,3,5-triisopropylbenzene (EC: 211-941-3)
1,3,5-Triisopropylbenzene: 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.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAsp. Tox. 1 (57.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA1993
- HS 번호
- 29029080
- safety_code
- 23-24/25
- 위험 등급
- CBL
- 기존화학 물질
- 2011-3-5303
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as an intermediate; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1,3,5-tris(1-methylethyl)-: ACTIVE
Benzene, tris(1-methylethyl)-: ACTIVE
응용 분야
개요1,3,5-Triisopropylbenzene is a versatile compound that has several applications in various industries. It is commonly used as a fuel and fuel additive, as well as in lubricants and lubricant additives. Additionally, it is utilized in the production of 2,4,6-triisopropyl-benzenesulfonyl chloride. This compound is also effective as a swelling agent in the synthesis of mesoporous silica with hexagonal pores. Furthermore, it serves as a micelle expander in the creation of magnetic mesoporous silica nanoparticles.
용도1,3,5-Triisopropylbenzene can be usually used as swelling agent during the synthesis of mesoporous silicas with two-dimensional hexagonal pores,also used as micelle expander in the synthesis of highly ordered mesoporous SBA-15 silica and magnetic mesoporous silica nanoparticles.
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