디이소프로필아닐린
Diisopropylaniline
기본 정보
- CAS
24544-04-5- 표준 SMILES
CC(C)c1cccc(C(C)C)c1N- InChIKey
WKBALTUBRZPIPZ-UHFFFAOYSA-N- 분자식
- C12H19N
- 평균 분자량
- 177.29 g/mol
- 단동위원소 질량
- 177.15174961
이름 및 식별자
- 우선 이름
- Diisopropylaniline
- IUPAC
- 2,6-di(propan-2-yl)aniline
- 현지명
- 디이소프로필아닐린
- 영어명
- 2,6-Diisopropylaniline
- 분자식
- C12H19N
- 분자량
- 177.29
이름 및 동의어
2,6-DIISOPROPYLANILINE24544-04-5Benzenamine, 2,6-bis(1-methylethyl)-diisopropylaniline2,6-DiisopropylphenylamineAniline, 2,6-diisopropyl-2,6-Diisopropyl aniline2,6-DilsopropylanilineDTXSID5022279BRN 2208763EINECS 246-305-4190BG0089I
이름 더 보기
디이소프로필아닐린2,6-다이아이소프로필아닐린DIPA2,6-DiisopropylbenzenamineAmitraz E.C.2,6-Di(propan-2-yl)aniline2,6-bis(1-methylethyl)-benzenamin2,6-Di-i-propylaniline2,6-diisopropyl-anilin
DTXCID302279EC 246-305-43-12-00-02764 (Beilstein Handbook Reference)2,6diisopropyl aniline2,6DiisopropylphenylamineAniline, 2,6diisopropylRefChem:587932Benzenamine, 2,6bis(1methylethyl)
데이터베이스 식별자
- CAS
24544-04-5- PubChem CID
- 32484
- DTXSID
DTXSID5022279- ChEMBL
CHEMBL3183764- UNII
- 190BG0089I
- EC Number
- 246-305-4
- Nikkaji
- J33.769B
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
LogP3.18
Density0.94 @25 °C
Boiling Point257 °C @760 [mm Hg]
Melting Point-45 °C
Vapor Pressure0.00479 [mmHg]
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Collision Cross Section146.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5022279]
물리화학적 성질
- 녹는점
- -45 °C · -45 °C (lit.)
- 끓는 점
- 257 °C · 257 °C (lit.)
- 밀도
- 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
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 3.4% (2 of 58) of reports.
Warning
H319 (13.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenamine, 2,6-bis(1-methylethyl)-
Status: Active Update: 09-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10001
Hazards SummaryCauses other liver changes and changes in bone marrow and spleen in oral lethal-dose studies of rats; [RTECS] May cause irritation; May induce methemoglobinemia; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (13.8%)
안전 및 보호
Protective Action Criteria (PAC)
9.6 [mg/m3]
110 [mg/m3]
630 [mg/m3]
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenamine, 2,6-bis(1-methylethyl)-: ACTIVE
응용 분야
용도2,6-Diisopropylaniline is used as intermediate for the manufacture of carbodiimides stabilizers, RIM-PUR, synthetic resins, pesticides, antioxidants, pharmaceuticals and other products. 2,6-Diisopropylaniline may be used in the preparation of multitopic Schiff-base ligand precursors.It may be used in the preparation of NSN-donor proligand, 4,5-bis(2,6-diisopropylanilino)-2,7-di-tert-butyl-9,9-dimethylthioxanthene. It may be used to prepare N-heterocyclic carbene complexes for α-arylation of acyclic ketones, amination of haloarenes, and aqueous Suzuki coupling. 2,6-Diisopropylaniline may be used in the preparation of organocatalyst based on naphthalene diimides (NDIs).
일반 설명2,6-Diisopropylaniline is an aromatic amine. It reacts with bis(trimethylsilylmethyl)yttrium complexes supported by bulky amidopyridinate (Ap) and amidinate (Amd) ligands to afford yttrium alkyl anilido species. This reaction involves the elimination of TMS (Trimethylsilane).
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