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에틸벤젤아닐린

N-Ethyl-N-benzylaniline

HCID 7098
새 노트새 반응견적 요청하기
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
92-59-1
표준 SMILES
CCN(Cc1ccccc1)c1ccccc1
InChIKey
HSZCJVZRHXPCIA-UHFFFAOYSA-N
분자식
C15H17N
평균 분자량
211.3 g/mol
단동위원소 질량
211.13609954

개요

N-ethyl-n-benzylaniline appears as 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.

이름 및 식별자

우선 이름
N-Ethyl-N-benzylaniline
IUPAC
N-benzyl-N-ethylaniline
현지명
에틸벤젤아닐린
영어명
N-Benzyl-N-ethylaniline
분자식
C15H17N
분자량
211.3

이름 및 동의어

N-Benzyl-N-ethylaniline92-59-1EthylbenzylanilineN-ETHYL-N-BENZYLANILINEN-Ethyl-N-phenylbenzylamineBenzenemethanamine, N-ethyl-N-phenyl-BenzylethylphenylaminePhenylethylbenzylamineBenzylamine, N-ethyl-N-phenyl-N-Ethyl-N-phenylbenzenemethanamineAmine, benzyl ethyl phenylNSC 1805
이름 더 보기
N-에틸-N-벤질아닐린에틸벤젤아닐린N-벤질-N-에틸아닐린BenzylethylanilineN-Benzyl-N-ethylaniln-ethylbenzylanilineN-Ethyl-N-benzylanilinETHYLPHENYLBENZYLAMINEN,N-Benzylethylaniline
CCRIS 4649HSDB 6120EINECS 202-169-8UN2274AI3-100399E1613V4RONSC-1805ETHYLBENZYLANILINE [MI]

데이터베이스 식별자

CAS
92-59-1
PubChem CID
7098
DTXSID
DTXSID0025315
ChEMBL
CHEMBL1479610
UNII
9E1613V4RO
EC Number
202-169-8
Nikkaji
J4.657D

물성

구조 계산 물성보충 중

XLogP
4.6
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
16
형식 전하
0
복잡도
178

실험 및 물리화학적 성질

PolymersNitrogen Compounds -> Amines, Polyaromatic
SpringerMaterials PropertiesOptical coefficient
LogP4.5
Density · 3건

1.034 at 66 °F (NTP, 1992) - Denser than water; will sink

1.034 AT 19 °C/4 °C

Relative density (water = 1): 1.03

Color/Form · 3건

LIGHT YELLOW, OILY LIQUID

COLORLESS OIL

PALE YELLOW CRYSTALS

Solubility · 4건

less than 1 mg/mL at 72 °F (NTP, 1992)

PRACTICALLY INSOL IN WATER; SOL IN USUAL ORG SOLVENTS; 1 ML DISSOLVES IN 5.5 ML ALCOHOL

SOL IN ETHER

Solubility in water at 20 °C: none

Flash Point · 3건

greater than 200 °F (NTP, 1992)

140 °C (284 °F) OC

140 °C o.c.

Boiling Point · 2건

545 to 547 °F at 760 mmHg (NTP, 1992)

287 °C AT 710 MM HG

Decomposition313 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Regulatory Information · 5건

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/19697

Ethylbenzylaniline: Does not have an individual approval but may be used under an appropriate group standard

The 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.)

DOT LabelPoison
Fire Hazards · 3건

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.

Health Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

Hazards Summary

화학 및 산업

용도 및 제조

Uses · 3건

Used to make dyes and other organic chemicals; [Merck Index] Used as photographic intermediate; [NTP]

Photographic Processing [Category: Other]

MFR OF DYES; IN ORG SYNTHESES

U.S. Production2023: 26,455 lb
Industry UsesIntermediate
Methods of Manufacturing · 2건

MARTIN, MACQUEEN, US PATENT 1,887,772 (1933 TO DOW); BURGSTAHLER, J AM CHEM SOC 73: 3021 (1951).

BY HEATING ETHYL ANILINE, BENZYL CHLORIDE, & AQUEOUS CAUSTIC SODA, WITH SUBSEQUENT DISTILLATION.

General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

Benzenemethanamine, N-ethyl-N-phenyl-: ACTIVE

응용 분야

용도N-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 설명A 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.

상·하류 제품 정보

상류 원료

염화벤질에틸아닐린(2-)

하류 제품

알리자린그린알파Z우린 A

관련 반응

11건
반응 기록 만들기
HRID 432207 반응식
HRID 432207반응물로uspto-grants-2003_12
HRID 686303 반응식
HRID 686303반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 897497 반응식
HRID 897497반응물로uspto-grants-2005_07
HRID 1224832 반응식
HRID 1224832생성물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1462151 반응식
HRID 1462151반응물로uspto-grants-1984_07
HRID 1583629 반응식
HRID 1583629반응물로uspto-grants-1985_11
HRID 1583630 반응식
HRID 1583630반응물로uspto-grants-1985_11
HRID 1599201 반응식
HRID 1599201반응물로uspto-grants-1998_04
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화합물 노트

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Melting Point · 3건

93 to 97 °F (NTP, 1992)

34 °C

-30 °C

Vapor Density · 2건

7.28 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Relative vapor density (air = 1): 7.2

Vapor Pressure · 2건

0.97 [mmHg]

Vapor pressure, Pa at 20 °C: 129

물리화학적 성질

녹는점
34 · 34-36°C
끓는 점
163 · 163-164 °C6 mm Hg(lit.)
밀도
1.029 g/mL · 1.029 g/mL at 25 °C(lit.)
증기압
0.013 Pa · 0.013Pa at 20℃
굴절률
20 · n20/D 1.595(lit.)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.
용해도
5.5 ml에 · 알코올: 5.5ml에 1ml 용해 가능
산도 계수 (pKa)
5.24 · 5.24±0.50(Predicted)
수용성
22 · 22&C에서 <0.1g/100mL
Merck
14 · 14,3769
BRN
2099852 · 2099852
Henry's Law Constant
1.1 · 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
4.38 at · 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

A mild skin irritant; [ICSC] An irritant; May be harmful after ingestion or skin contact; [Alfa Aesar MSDS]
DOT ID and Guide2274 153
Reactive GroupAmines, Aromatic
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: III
Reactivity Profile · 1건

N-ETHYL-N-BENZYLANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Chemical DangersDecomposes on burning. This produces toxic fumes.
DOT Emergency Guidelines · 5건

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.

For more DOT Emergency Guidelines (Complete) data for N-ETHYL-N-BENZYLANILINE (8 total), please visit the HSDB record page.

DOT Hazard Classification · 4건

N-Ethyl-N-benzylaniline

UN2274

Div 6.1 Poisonous materials (49 eCFR § 173.132)

PG III: the degree of danger presented by the material is minor

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Use water spray, carbon dioxide, powder.

First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink.

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting ProceduresALCOHOL FOAM. WATER OR FOAM MAY CAUSE FROTHING.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Spillage Disposal · 1건

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in covered containers. Carefully collect remainder. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

독성 정보

Signs and SymptomsRedness.
ICSC Environmental DataThe substance is toxic to aquatic organisms. The substance may cause long-term effects in the aquatic environment.

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 2274
HS 번호
29214990
risk_code
21/22-20/21/22
hazard_code
Xn
safety_code
36/37
포장분류
III
위험 등급
6.1
기존화학 물질
KE-14034
F 고인화성물질
8-23
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터
92-59-1(Hazardous Substances Data)
패스트그린FCF
경 그린 SF, 황색ISH
알파Z우린 A
나트륨4-[[4-[벤질(에틸)아미노]페닐]아조]-2,5-디클로로벤젠술포네이트
라이트그린SF옐로우
N-[4-[(2,5-Dichlorophenyl)[4-[N-ethyl-N-(3-sodiosulfobenzyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfonatobenzenemethanaminium
청색203호