2-tert-Butylaniline

2-tert-Butylbenzenamine · AKOS BBS-00003572 · 2-TERT-BUTYLANILINE · Aniline, 2-tert-butyl- · 2-tert-Butylaniline 98% · 2-TERT-BUTYLPHENYLAMINE · 2-tert-Butylaniline,99% · 2-tert-Butylaniline, 98%,

https://huagongshe.com/ko/chemical/80574

식별자 및 물리적 특성

CAS No.	6310-21-0
분자식	C10H15N
평균 분자량	149.23 g/mol
단동위원소 질량	149.12044948 g/mol
SMILES	CC(C)(C)c1ccccc1N
InChIKey	AEIOZWYBDBVCGW-UHFFFAOYSA-N
PubChem CID	80574
EC No.	228-634-5
DTXSID	DTXSID50212439

화학 및 물리적 성질

XLogP	3
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	123
물질 분류	Nitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties	Optical coefficient
Physical Description	Brown liquid[Sigma-Aldrich MSDS]
녹는점	-60 °C (lit.)
끓는 점	123-124 °C/17 mmHg (lit.)
밀도	0.957 g/mL at 25 °C (lit.)
굴절률	n20/D 1.545(lit.)
인화점	216 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	액체
pKa(산도 계수)	3.78±0.10(Predicted)
색상	투명한 연한 노란색에서 적갈색까지
InChI	InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKey	AEIOZWYBDBVCGW-UHFFFAOYSA-N
SMILES	C1(N)=CC=CC=C1C(C)(C)C
NIST	Benzenamine, 2-(1,1-dimethylethyl)-(6310-21-0)

화학적 성질

clear pale yellow to red-brown liquid

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	A skin and strong eye irritantMay induce methemoglobinemia[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (100%)
유해 작용	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
수질 위해 등급(WGK)	3
관세 코드	29214990
위험 문구(R)	36/37/38-20/21/22
위험 표시	Xi,Xn
안전 문구(S)	26-37/39-36/37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

2-tert-Butylaniline may be used in the preparation of 2,3-bis(2-tert-butyl-phenyl-imino)butane. It may be used in the preparation of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides and their guest inclusion abilities were investigated.

일반 설명

2-tert-Butylaniline is a sterically hindered aniline. 2-tert-Butylaniline participates in chemo- and regioselective copper-catalyzed cross-coupling reaction for the effective amination of 2-chlorobenzoic acids.