에틸벤젤아닐린

N-에틸-N-벤질아닐린 · 에틸벤젤아닐린 · N-벤질-N-에틸아닐린 · ETHYLBENZYLANILINE · Benzylethylaniline · N-Benzyl-N-ethylanil · n-ethylbenzylaniline · N-Ethyl-N-benzylanilin

https://huagongshe.com/ko/chemical/7098

식별자 및 물리적 특성

CAS No.	92-59-1
분자식	C15H17N
평균 분자량	211.3 g/mol
단동위원소 질량	211.13609954 g/mol
SMILES	CCN(Cc1ccccc1)c1ccccc1
InChIKey	HSZCJVZRHXPCIA-UHFFFAOYSA-N
PubChem CID	7098
ChEMBL	CHEMBL1479610
EC No.	202-169-8
DTXSID	DTXSID0025315
현지명	에틸벤젤아닐린

화학 및 물리적 성질

XLogP	4.6
극성 표면적	3.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	16
형식 전하	0
복잡도	178
Polymers	Nitrogen Compounds -> Amines, Polyaromatic
SpringerMaterials Properties	Optical coefficient
LogP(분배 계수)	4.5
밀도	1.034 at 66 °F (NTP, 1992) - Denser than waterwill sink1.034 AT 19 °C/4 °CRelative density (water = 1): 1.031.029 g/mL at 25 °C(lit.)
Color/Form	LIGHT YELLOW, OILY LIQUIDCOLORLESS OILPALE YELLOW CRYSTALS
용해도	less than 1 mg/mL at 72 °F (NTP, 1992)PRACTICALLY INSOL IN WATERSOL IN USUAL ORG SOLVENTS1 ML DISSOLVES IN 5.5 ML ALCOHOLSOL IN ETHERSolubility in water at 20 °C: none알코올: 5.5ml에 1ml 용해 가능
인화점	greater than 200 °F (NTP, 1992)140 °C (284 °F) OC140 °C o.c.>230 °F
끓는 점	545 to 547 °F at 760 mmHg (NTP, 1992)287 °C AT 710 MM HG163-164 °C6 mm Hg(lit.)
Decomposition	313 °C
녹는점	93 to 97 °F (NTP, 1992)34 °C-30 °C34-36°C
증기 밀도	7.28 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 7.2
증기압	0.97 [mmHg]Vapor pressure, Pa at 20 °C: 1290.013Pa at 20℃
굴절률	n20/D 1.595(lit.)
저장 조건	Store below +30°C.
pKa(산도 계수)	5.24±0.50(Predicted)
용해도	22&C에서 <0.1g/100mL
Merck	14,3769
BRN	2099852
헨리 상수	1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성	안정적인. 타기 쉬운. 강한 산화제, 산과 호환되지 않습니다.
InChI	1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKey	HSZCJVZRHXPCIA-UHFFFAOYSA-N
SMILES	CCN(Cc1ccccc1)c2ccccc2
LogP(분배 계수)	4.38 at 25℃
NIST	Benzenemethanamine, N-ethyl-N-phenyl-(92-59-1)
EPA	N-Ethyl-N-phenylbenzylamine (92-59-1)

화학적 성질

colourless or light yellow oily liquid

안전 및 규제

GHS 분류	WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzenemethanamine, N-ethyl-N-phenyl-Benzenemethanamine, N-ethyl-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-ethyl-N-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Cease Manufacture Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19697Ethylbenzylaniline: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.
유해성 요약	A mild skin irritant[ICSC] An irritantMay be harmful after ingestion or skin contact[Alfa Aesar MSDS]
운송 번호 및 가이드(DOT)	2274 153
반응성 그룹	Amines, Aromatic
UN 분류	UN Hazard Class: 6.1UN Pack Group: III

용도

N-Benzyl-N-ethylaniline was used in a study to investigate the electron transfer quenching dynamics of excited perylene and cyanoperylene in various donating solvents.

일반 설명

A colorless to light colored liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.