N-Ethyl-N-benzylaniline (HCID 7098)

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 물성

XLogP: 4.6
극성 표면적: 3.2 Å²
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

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

안전 및 규제

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 SummaryA mild skin irritant; [ICSC] An irritant; May be harmful after ingestion or skin contact; [Alfa Aesar MSDS]

DOT ID and Guide2274 153

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.

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.

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)

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.