基本情報
- CAS
51-78-5- 標準SMILES
Cl.Nc1ccc(O)cc1- InChIKey
RVGOBWDGAVAVPJ-UHFFFAOYSA-N- 分子式
- C6H7NO.ClH
- 平均分子量
- 145.59 g/mol
- 単同位体質量
- 145.02944156
名称と識別子
- 優先名称
- 4-Aminophenol hydrochloride
- IUPAC
- 4-aminophenol;hydrochloride
- 現地名
- 4-アミノフェノール塩酸塩
- 英語名
- 4-Hydroxyaniline hydrochloride
- 分子式
- C6H8ClNO
- 分子量
- 145.59
名称と別名
名称をさらに表示
データベース識別子
- CAS
51-78-5- PubChem CID
- 5828
- DTXSID
DTXSID6058760- ChEMBL
CHEMBL388353- UNII
- IWL2N22RFY
- EC Number
- 200-122-6
物性
構造計算による物性
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 66.9
実験および物理化学的性質
物理化学的性質
- 融点
- 302 °C · 302 °C
- 沸点
- 306 °C · 306°C (decomp)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- 粉
- 色
- グレー
- 水溶解度
- 溶ける
- Merck
- 14 · 14,462
- BRN
- 3911747 · 3911747
- 安定性
- 安定していますが、吸湿性があり、空気や光に敏感です。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- ヘアカラーリング
- InChI
- 1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
- InChIKey
- RVGOBWDGAVAVPJ-UHFFFAOYSA-N
- SMILES
- Cl[H].Nc1ccc(O)cc1
- CAS データベース
- 51 · 51-78-5(CAS DataBase Reference)
- EPAの化学物質情報
- 4 · 4-Aminophenol hydrochloride (51-78-5)
化学的性質
化学的特性Off white powder
安全と法規制
GHS分類
GHS Classification
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Phenol, 4-amino-, hydrochloride
Phenol, 4-amino-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause skin sensitization; Inhalation may cause asthma; May induce methemoglobinemia; [Merck Index] Emergency treatment: Aniline; [HSDB] A mutagen; Causes changes in renal tubules in intraperitoneal studies of rats at doses >50 mg/kg; [RTECS] See 4-Aminophenol.
Hazard Classes and Categories
Skin Irrit. 2 (90.7%)
Acute toxicity (ingestion) - category 4
安全と保護具
Fire Fighting Procedures
If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aminophenols/
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. /Aminophenols/
Personnel protection: Avoid breathing dusts, and fumes from burning material. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. /Aminophenols/
毒性情報
Non-Human Toxicity Excerpts
IV 3 MMOL/KG INHIBITED GLUCONEOGENESIS FROM LACTATE IN RAT RENAL CORTICAL TUBULES & DECR ATP CONTENT. PERFUSED KIDNEYS FROM RATS PREVIOUSLY INJECTED SHOWED 50% REDN OF ATP CONTENT, INHIBITION OF NA+ REABSORPTION, & REDN OF INSULIN CLEARANCE BUT NO INHIBITION OF GLUCONEOGENESIS
IN MITOCHONDRIA FROM KIDNEYS OF RATS TREATMENT WITH P-AMINOPHENOL HYDROCHLORIDE (300 MG/KG, IV), INHIBITED RESP, OXIDATIVE PHOSPHORYLATION, & ATPASE ACTIVITY. SODIUM & CALCIUM LEVELS ALSO INCREASED. MITOCHONDRIA SHOWED ULTRASTRUCTURE DAMAGE.
INDUCERS & INHIBITORS OF MICROSOMAL MIXED-FUNCTION OXIDASE HAD NO CONSISTENT EFFECT UPON NEPHROTOXICITY OF P-AMINOPHENOL HCL OR BINDING OF P-AMINOPHENOL HCL TO CELL PROTEIN. THE NEPHROTOXICITY IS DEPENDENT UPON OXIDN TO TOXIC METAB BY SOME OTHER PATHWAY.
SINGLE IV ADMIN TO RATS WAS NEPHROTOXIC. RENAL LESIONS WERE GENERALLY CONFINED TO THE PROXIMAL CONVOLUTED TUBULES.
For more Non-Human Toxicity Excerpts (Complete) data for 4-AMINOPHENOL HYDROCHLORIDE (6 total), please visit the HSDB record page.
Antidote and Emergency Treatment
9. IF...SPILLED ON CLOTHING, REMOVE IMMEDIATELY & DISCARD. ANY CONTAMINATED AREA OF SKIN SHOULD BE WASHED FOR 10 TO 15 MIN WITH SOAP & RUNNING WATER. ... /ANILINE/
/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aniline and related compounds/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aniline and related compounds/
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SJ6070000
- 毒性
- LD50 slt-dmg-orl: 750 mg/kg NTIS** AD691-490
- hs_code
- 29222900
- risk_code
- 36/37/38-43
- 化審法
- (3)-675
- hazard_code
- Xi
- safety_code
- 28-36
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1
- 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
- 51-78-5(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Used as photographic developer, in manufacture of sulfur and azo dyes, and for dyeing furs and feathers; [Merck Index]
Photographic Processing [Category: Other]
Photographic developer; int in mfr of sulfur and azo dyes; in dyeing furs and feathers /p-Aminophenol/
応用分野
使用4-Aminophenol may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations using surface enhanced Raman scattering method.
一般的な説明Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. 4-Aminophenol hydrochloride can be used to study cell biology, bioactive small molecules, chemical synthesis, organic building blocks, oxygen compounds and phenols.
調製方法
純化方法Purify the salt by treating an aqueous solution with saturated Na2S2O3, filtering under N2, then recrystallising it from 50% EtOH twice and once from absolute EtOH [Livingston & Ke J Am Chem Soc 72 909 1950]. [Beilstein 13 III 993.]
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