N,N-ジエチル-3-アミノフェノール

3-(Diethylamino)phenol

HCID 7062CAS 91-68-9

基本情報

標準SMILES
CCN(CC)c1cccc(O)c1
InChIKey
WAVOOWVINKGEHS-UHFFFAOYSA-N
分子式
C10H15NO
平均分子量
165.23 g/mol
単同位体質量
165.1153641

名称と識別子

優先名称
3-(Diethylamino)phenol
IUPAC
3-(diethylamino)phenol
現地名
N,N-ジエチル-3-アミノフェノール
英語名
3-Diethylaminophenol
分子式
C10H15NO
分子量
165.23

名称と別名

3-(Diethylamino)phenol3-DIETHYLAMINOPHENOLN,N-Diethyl-m-aminophenolPhenol, 3-(diethylamino)-CCRIS 4615DTXSID9025037UNII-BQY98Q7YU5EINECS 202-090-9BQY98Q7YU53-(N,N-diethylamino)phenolm-DiethylaminophenolBRN 0908212
名称をさらに表示
N,N-ジエチル-3-アミノフェノールm-(ジエチルアミノ)フェノール3-(ジエチルアミノ)フェノールmN,Nジエチルアミノフェノ-ル3-ジエチルアミノフェノール3(ジエチルアミノ)フェノルN,N-ジエチルアミノフェノール3‐ジエチルアミノフェノールDEMAP3-Hydroxy-N,N-diethylanilineDIETHYL META AMINO PHENOLdiethylaminophenolN,N-DIETHYL-3-AMINOPHENOLN,N-Diethyl-3-hydroxyaniline3-DiethyLJACS-91-68-9m-Diethylaniline
RODOL DEMAPAI3-14895NSC-93934m-hydroxy-n,n-diethylanilineDIETHYLAMINOPHENOL, 3-DTXCID205037EC 202-090-94-13-00-00969 (Beilstein Handbook Reference)

データベース識別子

CAS
91-68-9
PubChem CID
7062
DTXSID
DTXSID9025037
ChEMBL
CHEMBL1420719
UNII
BQY98Q7YU5
EC Number
202-090-9
Nikkaji
J134.659H

物性

構造計算による物性

XLogP
2.3
極性表面積
23.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
3
重原子数
12

実験および物理化学的性質

Solubilityless than 1 mg/mL at 68.9 °F (NTP, 1992)
Boiling Point529 to 536 °F at 760 mmHg (NTP, 1992)
Melting Point149 to 172 °F (NTP, 1992)
Physical Description · 2 件

3-diethylaminophenol is a black solid. (NTP, 1992)

Black solid; [CAMEO] Crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
69 · 69-72 °C (lit.)
沸点
170 °C/15 · 170 °C/15 mmHg (lit.)
比重(密度)
1.0203 · 1.0203 (rough estimate)
蒸気圧
0.345 Pa · 0.345Pa at 25℃
屈折率
1.482 · 1.4820 (estimate)
闪点
141 °C · 141 °C

化学的性質

化学的特性Grey-brown to rose or red flakes or granules

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (72.5%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (26.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (25.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (71.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 160 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 30-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12506;Status: Cease Manufacture Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11189
DOT LabelPoison
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. (NTP, 1992)
Hazards Summary · 1 件

Not a skin or eye irritant in rabbits; Not sensitizing in skin painting study of guinea pigs; Methemoglobinemia observed in oral study of cats; [IUCLID] A skin and strong eye irritant; Prolonged or repeated exposure may cause eye injury; [Sigma-Aldrich MSDS]

Reactive GroupAmines, Phosphines, and Pyridines;Phenols and Cresols

安全と保護具

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:;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.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

法規制情報

Regulatory InformationStatus: Active Update: 30-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12506;Status: Cease Manufacture Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11189

安全データ

wgk
2
tsca
TSCA listed
rtecs
SL0550500
ridadr
UN 2512 6.1/PG 3
hs_code
29222900
risk_code
25-36/37/38

化学と産業

用途と製造

UsesUsed to make dyes; [NTP] Used as a dye intermediate; [ExPub: ECHA REACH Registrations]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 3-(diethylamino)-: ACTIVE

応用分野

使用3-Diethylaminophenol is used as a reagent in the synthesis of coumarin- and rhodamine-fused deep red fluorescent dyes.

一般的な説明Black solid.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

関連反応

27 件

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