4-Octylaniline

HCID 85346CAS 16245-79-7

기본 정보

표준 SMILES: CCCCCCCCc1ccc(N)cc1
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
분자식: C14H23N
평균 분자량: 205.34 g/mol
단동위원소 질량: 205.18304974

이름 및 식별자

우선 이름: 4-Octylaniline
IUPAC: 4-octylaniline
영어명: 4-n-Octylaniline
분자식: C14H23N
분자량: 205.34

이름 및 동의어

4-Octylaniline4-n-Octylaniline16245-79-7p-OctylanilineBenzenamine, 4-octyl-4-Octylphenylamine4-octylbenzenaminep-n-octylanilineO9FN212WZZEINECS 240-358-7ANILINE, P-OCTYL-DTXSID6022266

이름 더 보기

4-octyl-Octylaniline4-n-Octylaniline>TIMTEC-BB SBB008315

RefChem:526074DTXCID802266240-358-74-octyl anilineMFCD00007929SCHEMBL111952AKOS015839936SB78179

데이터베이스 식별자

CAS: 16245-79-7
PubChem CID: 85346
DTXSID: DTXSID6022266
UNII: O9FN212WZZ
EC Number: 240-358-7
Nikkaji: J46.001J

물성

구조 계산 물성

XLogP: 5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 7
무거운 원자 수: 15
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 17 °C · 17°C
끓는 점: 175 °C/13 · 175 °C/13 mmHg (lit.)
밀도: 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.516(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 4.96 · 4.96±0.10(Predicted)
색상: White or Colorles to Yellow to Orange
수용성: 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 · 4-Octylaniline (16245-79-7)

화학적 성질

Orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)

안전 데이터

wgk: 3
ridadr: UN 3082 9 / PGIII
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도4-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 설명Micrometer-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.