N-Ethyl-N-benzylaniline (HCID 7098)

概要

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.

名称と識別子

優先名称: N-Ethyl-N-benzylaniline
IUPAC: N-benzyl-N-ethylaniline
現地名: N-ベンジル-N-エチルアニリン
英語名: N-Benzyl-N-ethylaniline
分子式: C15H17N
分子量: 211.3

名称と別名

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

名称をさらに表示

N-ベンジル-N-エチルアニリンN-エチル-N-フェニルベンゼンメタンアミンN-エチル-N-ベンジルアニリンエチルベンジルアニリンN-エチル-N-フェニルベンジルアミンベンジルエチルアニリンN-エチル-N-フェニルベンジルアニリンN-フェニル-N-エチルベンジルアニリンBenzylethylanilineN-Benzyl-N-ethylaniln-ethylbenzylanilineN-Ethyl-N-benzylanilinETHYLPHENYLBENZYLAMINEN,N-Benzylethylaniline

CCRIS 4649HSDB 6120EINECS 202-169-8UN2274AI3-100399E1613V4RONSC-1805ETHYLBENZYLANILINE [MI]

データベース識別子

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

物性

構造計算による物性

XLogP: 4.6
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 178

実験および物理化学的性質

PolymersNitrogen Compounds -> Amines, Polyaromatic

SpringerMaterials PropertiesOptical coefficient

LogP4.5

Density · 3 件

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 件

LIGHT YELLOW, OILY LIQUID

COLORLESS OIL

PALE YELLOW CRYSTALS

Solubility · 4 件

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

物理化学的性質

融点: 34 · 34-36°C
沸点: 163 · 163-164 °C6 mm Hg(lit.)
比重(密度): 1.029 g/mL · 1.029 g/mL at 25 °C(lit.)
蒸気圧: 0.013 Pa · 0.013Pa at 20℃
屈折率: 20 · n20/D 1.595(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 5.5 mlに1ml · アルコール：5.5mlに1ml
酸解離定数(Pka): 5.24 · 5.24±0.50(Predicted)
水溶解度: 0.1 g/100 · <0.1 g/100 mL で 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)
安定性: 安定。可燃性。強力な酸化剤、酸とは相容れない。
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 データベース: 92 · 92-59-1(CAS DataBase Reference)
NISTの化学物質情報: Benzenemethanamine, N-ethyl-N-phenyl-(92-59-1)
EPAの化学物質情報: N-Ethyl-N-phenylbenzylamine (92-59-1)

化学的性質

化学的特性colourless or light yellow oily liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 5 件

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 件

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 件

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 · 5 件

/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.

安全と保護具

Fire Fighting · 2 件

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

Use water spray, carbon dioxide, powder.

First Aid Measures · 4 件

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 件

· 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 件

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.

毒性情報

Signs and SymptomsRedness.

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

安全データ

F: 8-23
wgk: 2
tsca: TSCA listed
ridadr: UN 2274
hs_code: 29214990
risk_code: 21/22-20/21/22
化審法: (3)-377
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 36/37
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
有毒物質データの: 92-59-1(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 3 件

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 件

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 件

Synthetic Dye and Pigment Manufacturing

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

応用分野

使用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.

一般的な説明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.

調製方法 · 1 件

純化方法Dry the amine over KOH pellets and fractionate it. The picrate crystallises from *C6H6 as lemon yellow crystals m 126-128o (softening at 120o). [Forrest et al. J Chem Soc 303 1951, IR: Hill & Meakins J Chem Soc 760 1958, Beilstein 12 H 1026, 12 IV 2176.]