4-Octylaniline

4-OCTYLANILINE · 4-octyl- · Octylaniline · P-OCTYLANILINE · Einecs 240-358-7 · 4-n-Octylaniline · 4-octylbenzenamine · 4-Octylphenylamine

https://huagongshe.com/ko/chemical/85346

식별자 및 물리적 특성

CAS No.	16245-79-7
분자식	C14H23N
평균 분자량	205.34 g/mol
단동위원소 질량	205.18304974 g/mol
SMILES	CCCCCCCCc1ccc(N)cc1
InChIKey	ORKQJTBYQZITLA-UHFFFAOYSA-N
PubChem CID	85346
EC No.	240-358-7
DTXSID	DTXSID6022266

화학 및 물리적 성질

XLogP	5
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	7
무거운 원자 수	15
형식 전하	0
복잡도	136
녹는점	17°C
끓는 점	175 °C/13 mmHg (lit.)
밀도	0.898 g/mL at 25 °C (lit.)
굴절률	n20/D 1.516(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	powder to lump to clear liquid
pKa(산도 계수)	4.96±0.10(Predicted)
색상	White or Colorles to Yellow to Orange
용해도	물에 불용성.
InChI	InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey	ORKQJTBYQZITLA-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(CCCCCCCC)C=C1
EPA	4-Octylaniline (16245-79-7)

화학적 성질

Orange liquid

안전 및 규제

GHS 분류	WarningH302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (11.4%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 3082 9 / PGIII
관세 코드	29214990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 등급	Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

4-Octylaniline can be been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It can also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.

일반 설명

Micrometer-sized oil droplet of 4-octylaniline containing 5 mol% of an amphiphilic catalyst exhibits a self-propelled motion, producing tiny oil droplets. Kinetics of proton transfer facilitated by 4-octylaniline across the water/1,2-dichloroethane interface has been investigated by cyclic voltammetry and ac impedance.