3-디에틸아미노페놀

3-(Diethylamino)phenol

HCID 7062CAS 91-68-9

기본 정보

표준 SMILES
CCN(CC)c1cccc(O)c1
InChIKey
WAVOOWVINKGEHS-UHFFFAOYSA-N
분자식
C10H15NO
평균 분자량
165.23 g/mol
단동위원소 질량
165.1153641

이름 및 식별자

우선 이름
3-(Diethylamino)phenol
IUPAC
3-(diethylamino)phenol
현지명
3-디에틸아미노페놀
영어명
3-Diethylaminophenol
분자식
C10H15NO
분자량
165.23

이름 및 동의어

3-(Diethylamino)phenol3-DIETHYLAMINOPHENOLN,N-Diethyl-m-aminophenolPhenol, 3-(diethylamino)-CCRIS 4615DTXSID9025037UNII-BQY98Q7YU5EINECS 202-090-9BQY98Q7YU53-(N,N-diethylamino)phenolm-DiethylaminophenolBRN 0908212
이름 더 보기
3-디에틸아미노페놀DEMAP3-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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.3
극성 표면적
23.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

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 · 2건

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

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

물리화학적 성질

녹는점
69 · 69-72 °C (lit.)
끓는 점
170 °C/15 · 170 °C/15 mmHg (lit.)
밀도
1.0203 · 1.0203 (rough estimate)
증기압
0.345 Pa · 0.345Pa at 25℃
굴절률
1.482 · 1.4820 (estimate)
인화점
141 °C · 141 °C

화학적 성질

Grey-brown to rose or red flakes or granules

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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 · 1건

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

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

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 · 1건

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) · 1건

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)

독성 정보

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

규제 정보

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

안전 데이터

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

화학 및 산업

용도 및 제조

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

응용 분야

용도3-Diethylaminophenol is used as a reagent in the synthesis of coumarin- and rhodamine-fused deep red fluorescent dyes.

일반 설명Black solid.

공급사50 곳

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]

관련 반응

27건

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