Diisopropylaniline (HCID 32484)

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 Å²
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]

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.)
증기압: 0.01 mm · <0.01 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.532(lit.)
인화점: 255 °F · 255 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 0.2 g/L · <0.2g/L
물리적 상태: 액체
산도 계수 (pKa): 4.25 · 4.25±0.10(Predicted)
색상: 투명한
수용성: 0.2 g/L · <0.20g/L
BRN: 2208763 · 2208763
InChI: 1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3
InChIKey: WKBALTUBRZPIPZ-UHFFFAOYSA-N
SMILES: CC(C)c1cccc(C(C)C)c1N
LogP: 3.18 at · 3.18 at 20℃
NIST: 2 · Benzenamine, 2,6-bis(1-methylethyl)-(24544-04-5)
EPA: 2 · 2,6-Diisopropylaniline (24544-04-5)

화학적 성질

Clear liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 2건

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) · 3건

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

wgk: 2
tsca: TSCA listed
rtecs: BX4025000
HS 번호: 29214980
risk_code: 52/53-36/37/38
hazard_code: Xi
safety_code: 61-37/39-26
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 2,6-bis(1-methylethyl)-: ACTIVE

응용 분야 · 2건

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).