3-ヒドロキシジフェニルアミン

3-Hydroxy-N-phenylaniline

HCID 7546CAS 101-18-8

基本情報

標準SMILES
Oc1cccc(Nc2ccccc2)c1
InChIKey
NDACNGSDAFKTGE-UHFFFAOYSA-N
分子式
C12H11NO
平均分子量
185.22 g/mol
単同位体質量
185.08406397

名称と識別子

優先名称
3-Hydroxy-N-phenylaniline
IUPAC
3-anilinophenol
現地名
3-ヒドロキシジフェニルアミン
英語名
3-Hydroxydiphenylamine
分子式
C12H11NO
分子量
185.22

名称と別名

3-Hydroxydiphenylamine3-AnilinophenolPhenol, 3-(phenylamino)-m-Anilinophenol3-HYDROXY-N-PHENYLANILINE3-PhenylaminophenolEINECS 202-923-6CCRIS 4658DTXSID1025431E39Q946GO3NSC 56930UNII-E39Q946GO3
名称をさらに表示
3-ヒドロキシジフェニルアミンN-(3-ヒドロキシフェニル)アニリンm-アニリノフェノール3-(フェニルアミノ)フェノール3-アニリノフェノール3-ヒドロキシフェニルフェニルアミン3ヒドロキシジフェニルアミン3-フェニルアミノフェノール3-(PHENYLAMINO)PHENOLPhenol, m-anilino-3-(phenylamino)-pheno3-HydroxydipheylamineM-HYDROXYDIPHENYLAMINE
AMINE,DIPHENYL,3-HYDROXYNSC-56930M-(PHENYLAMINO)PHENOLDTXCID605431RefChem:942453-HYDROXYPHENYLAMINE PHENYL689-700-0InChI=1/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14

データベース識別子

CAS
101-18-8
PubChem CID
7546
DTXSID
DTXSID1025431
ChEMBL
CHEMBL1523215
ChEBI
CHEBI:188941
UNII
E39Q946GO3
EC Number
202-923-6、689-700-0
Nikkaji
J94.838A

物性

構造計算による物性

XLogP
3.1
極性表面積
32.3 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
2
重原子数
14

実験および物理化学的性質

Solubilityless than 1 mg/mL at 72.5 °F (NTP, 1992)
Boiling Point644 °F at 760 mmHg (NTP, 1992)
Melting Point178 to 180 °F (NTP, 1992)
Physical Description3-hydroxy-n-phenylaniline is a beige powder. (NTP, 1992)

物理化学的性質

融点
81 · 81-82°C
沸点
340 °C · 340°C
比重(密度)
1.0936 · 1.0936 (rough estimate)
屈折率
1.53 · 1.5300 (estimate)
闪点
340 °C · 340°C
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Red brown soli

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (71.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (30.9%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (69.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (30.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (68.4%): 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+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 152 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 Information · 2 件

Chemical: Phenol, 3-(phenylamino)-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Status: Active Update: 27-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18911

DOT LabelPoison
Fire HazardsThe flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:;Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

Reactive GroupAmines, Phosphines, and Pyridines;Phenols and Cresols
Reactivity Profile · 1 件

Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, foam 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)

法規制情報

Regulatory Information · 2 件

Chemical: Phenol, 3-(phenylamino)-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Status: Active Update: 27-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18911

安全データ

tsca
TSCA listed
ridadr
2811
hs_code
2922290090
risk_code
36/37/38
hazard_code
Xi,C
safety_code
26-37/39

化学と産業

用途と製造

General Manufacturing InformationPhenol, 3-(phenylamino)-: ACTIVE

応用分野

一般的な説明Beige powder.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

関連反応

4 件

関連ノート

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