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N-Benzyl-N-ethylanilin

N-Ethyl-N-benzylaniline

HCID 7098
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
92-59-1
Standard-SMILES
CCN(Cc1ccccc1)c1ccccc1
InChIKey
HSZCJVZRHXPCIA-UHFFFAOYSA-N
Summenformel
C15H17N
Durchschnittliche Molmasse
211,3 g/mol
Monoisotopische Masse
211,13609954

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
N-Ethyl-N-benzylaniline
IUPAC
N-benzyl-N-ethylaniline
Lokaler Name
N-Benzyl-N-ethylanilin
Englischer Name
N-Benzyl-N-ethylaniline
Summenformel
C15H17N
Molmasse
211.3

Namen und Synonyme

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
Weitere Namen anzeigen
BenzylethylanilineN-Benzyl-N-ethylaniln-ethylbenzylanilineN-Ethyl-N-benzylanilinETHYLPHENYLBENZYLAMINEN,N-Benzylethylaniline
CCRIS 4649HSDB 6120EINECS 202-169-8UN2274AI3-100399E1613V4RONSC-1805ETHYLBENZYLANILINE [MI]

Datenbank-Bezeichner

CAS
92-59-1
PubChem CID
7098
DTXSID

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
4,6
Polarare Oberfläche (TPSA)
3,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
16
Formalladung
0
Komplexität
178

Experimentelle und physikochemische Eigenschaften

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

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 · 3 Einträge

LIGHT YELLOW, OILY LIQUID

COLORLESS OIL

PALE YELLOW CRYSTALS

Solubility · 4 Einträge

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 · 3 Einträge

greater than 200 °F (NTP, 1992)

140 °C (284 °F) OC

140 °C o.c.

Boiling Point · 2 Einträge

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 · 3 Einträge

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 · 2 Einträge

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.

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

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 · 2 Einträge

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 · 2 Einträge

Synthetic Dye and Pigment Manufacturing

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

Anwendungen

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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Benzylchlorid2-Ethylanilin

Nachgelagerte Produkte

Hydrogen[4-[(2-chlorphenyl)[4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz

Zugehörige Reaktionen

11
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 432207
HRID 432207als Eduktuspto-grants-2003_12
Reaktionsgleichung von HRID 686303
HRID 686303als EduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaktionsgleichung von HRID 897497
HRID 897497als Eduktuspto-grants-2005_07
Reaktionsgleichung von HRID 1224832
HRID 1224832als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaktionsgleichung von HRID 1462151
HRID 1462151als Eduktuspto-grants-1984_07
Reaktionsgleichung von HRID 1583629
HRID 1583629als Eduktuspto-grants-1985_11
Reaktionsgleichung von HRID 1583630
HRID 1583630als Eduktuspto-grants-1985_11
Reaktionsgleichung von HRID 1599201
HRID 1599201als Eduktuspto-grants-1998_04
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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
DTXSID0025315
ChEMBL
CHEMBL1479610
UNII
9E1613V4RO
EC Number
202-169-8
Nikkaji
J4.657D

545 to 547 °F at 760 mmHg (NTP, 1992)

287 °C AT 710 MM HG

Decomposition313 °C
Melting Point · 3 Einträge

93 to 97 °F (NTP, 1992)

34 °C

-30 °C

Vapor Density · 2 Einträge

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

Relative vapor density (air = 1): 7.2

Vapor Pressure · 2 Einträge

0.97 [mmHg]

Vapor pressure, Pa at 20 °C: 129

Physikochemische Eigenschaften

Schmelzpunkt
34 · 34-36°C
Siedepunkt
163 · 163-164 °C6 mm Hg(lit.)
Dichte
1.029 g/mL · 1.029 g/mL at 25 °C(lit.)
Dampfdruck
0.013 Pa · 0.013Pa at 20℃
Brechungsindex
20 · n20/D 1.595(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
1 ml · alcohol: soluble1ml in 5.5ml
pka
5.24 · 5.24±0.50(Predicted)
Wasserlöslichkeit
0.1 g/100 · <0.1 g/100 mL at 22 ºC
Merck
14 · 14,3769
BRN
2099852 · 2099852
Henry's Law Constant
1.1 · 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Stabilität
Stable. Combustible. Incompatible with strong oxidizing agents, acids.
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℃
CAS Datenbank
92 · 92-59-1(CAS DataBase Reference)
NIST chemische Informationen
Benzenemethanamine, N-ethyl-N-phenyl-(92-59-1)
EPA chemische Informationen
N-Ethyl-N-phenylbenzylamine (92-59-1)
Hazards SummaryA 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 · 1 Eintrag

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 · 5 Einträge

/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 · 4 Einträge

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

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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

Use water spray, carbon dioxide, powder.

First Aid Measures · 4 Einträge

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 · 2 Einträge

· 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 · 2 Einträge

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 · 1 Eintrag

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 · 2 Einträge

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.

Toxikologische Informationen

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

Sicherheitsdaten

F
8-23
wgk
2
tsca
TSCA listed
ridadr
UN 2274
hs_code
29214990
risk_code
21/22-20/21/22
hazard_code
Xn
safety_code
36/37
hazard_class
6.1
packing_group
III
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Giftige Stoffe Daten
92-59-1(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 Oral
Hydrogen(benzyl)[4-[[4-[benzylethylamino]phenyl](2,4-disulfonatophenyl)methylen]cyclohexa-2,5-dien-1-yliden](ethyl)ammonium, Natriumsalz
Fast Green FCF
Dihydrogen(ethyl)[4-[p-[ethyl(m-sulfonatobenzyl)amino]-p'-sulfonatobenzhydrylen]cyclohexa-2,5-dien-1-yliden](m-sulfonatobenzyl)ammonium, Dinatriumsalz
Hydrogen(benzyl)[4-[[4-[benzylethylamino]phenyl](2,4-disulfonatophenyl)methylen]cyclohexa-2,5-dien-1-yliden](ethyl)ammonium, Natriumsalz
Natrium-4-[[4-[benzyl(ethyl)amino]phenyl]azo]-2,5-dichlorbenzolsulfonat
LIGHT GREEN SF YELLOWISH
N-[4-[(2,5-Dichlorophenyl)[4-[N-ethyl-N-(3-sodiosulfobenzyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfonatobenzenemethanaminium
Bis[hydrogen(benzyl)[4-[[4-(benzylethylamino)phenyl](5-hydroxy-2,4-disulfonatophenyl)methylen]cyclohexa-2,5-dien-1-yliden](ethyl)ammonium], Calciumsalz