フェネチジン
4-Ethoxyaniline
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基本情報
- CAS
156-43-4- 標準SMILES
CCOc1ccc(N)cc1- InChIKey
IMPPGHMHELILKG-UHFFFAOYSA-N- 分子式
- C8H11NO
- 平均分子量
- 137.18 g/mol
- 単同位体質量
- 137.08406397
概要
P-phenetidine is a colorless to dark red liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 4-Ethoxyaniline
- IUPAC
- 4-ethoxyaniline
- 現地名
- フェネチジン
- 英語名
- Phenetidine
- 分子式
- C8H11NO
- 分子量
- 137.18
名称と別名
p-Phenetidine4-ETHOXYANILINE156-43-4Phenetidine4-Aminophenetolep-Ethoxyanilinep-Phenetidinp-AminophenetoleBenzenamine, 4-ethoxy-Phenethidine1-Amino-4-ethoxybenzeneAniline, p-ethoxy-
名称をさらに表示
p-フェネチジンパラ-フェネチジンp-アミノフェネトール4-エトキシアニリン4-アミノフェネトール4-エトキシベンゼンアミンp-エトキシアニリンｐフェネチジン4-アミノフェネトール(p-フェネチジン)P‐フェネチジンフェネチジンPARA PHENETIDINEethoxyanilinep-Aminophenolethylether4-EthoxyanilinPARA-PHENETIDIN
4-Phenetidine4-AminoethoxybenzeneEthyl p-aminophenolDTXSID00258649TSL224ZSECP 5685NSC-3116DTXCID505864
データベース識別子
- CAS
156-43-4- PubChem CID
- 9076
- DTXSID
DTXSID0025864- ChEMBL
CHEMBL250969- ChEBI
CHEBI:85505- UNII
- 9TSL224ZSE
- EC Number
- 205-855-5
- Nikkaji
- J2.032J
物性
構造計算による物性補完中
- XLogP
- 1.2
- 極性表面積
- 35.3 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
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 87.3
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesBoiling point
LogP
1.24
1.24
Density
1.0652 at 61 °F (NTP, 1992) - Denser than water; will sink
1.1 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.0
Solubility
5 to 10 mg/mL at 68 °F (NTP, 1992)
Solubility in water, g/100ml at 20 °C: 2 (moderate)
Flash Point
240 °F (NTP, 1992)
120 °C c.c.
Boiling Point
482 °F at 760 mmHg (NTP, 1992)
253-255 °C
Melting Point
36 to 39 °F (NTP, 1992)
2.4 °C
Vapor Density
4.73 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 4.7
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 4-ethoxy-
Benzenamine, 4-ethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4-ethoxy- 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)
REACH registered substance: p-phenetidine (EC: 205-855-5)
Phenetidine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenamine, 4-ethoxy-: Human health tier II assessment
DOT LabelPoison
Fire Hazards
This compound is combustible. (NTP, 1992)
Combustible.
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include cyanosis, hypothermia, headache, drowsiness, vomiting, nephritis and irritation of the alimentary tract.
Hazards Summary
An eye irritant; May induce methemoglobinemia; [ICSC] Causes methemoglobinemia in repeated-dose oral studies of rats; [RTECS] Toxic by ingestion, inhalation, and skin absorption; May cause contact irritation, cyanosis, hypothermia, headache, drowsiness, vomiting, nephritis, and alimentary tract irritation; [NTP] Case report of methemoglobinemia from occupational exposure; Sensitizing in 2 of 3 maximization tests of guinea pigs; Not a lung sensitizer in guinea pigs; Some evidence of skin sensitization in humans; [IUCLID] A strong eye irritant; May cause skin sensitization; Harmful by ingestion, inhalation, and skin absorption; Suspected mutagen; [Alfa Aesar MSDS] See m-Phenetidine. See p-Anisidine.
化学と産業
用途と製造
UsesUsed to make acetophenetidine, phenocoll, dulcin, and dyes; [Merck Index] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesOther
General Manufacturing Information
Explosives Manufacturing
Benzenamine, 4-ethoxy-: ACTIVE
応用分野
解説フェネチジン，いずれも常温では液体．エタノール，希酸に可溶，水に不溶．空気中で褐色ないし赤褐色に着色する．染料の中間体．皮膚からの体内吸収には注意を要する．p-フェネチジンは医薬アセトフェネチジン，フェノコール，甘味剤ズルチンなどの中間物として使われる．λmax 237.5，303.5 nm(log ε 4.95，3.38)．森北出版「化学辞典（第2版）
用途染料中間体
使用A toxic metabolite of Phenacetin (P294580) which exhibits high renal toxicity. p-Phenetidine also reduced COX-1 and COX-2 expression in neutrophils.
一般的な説明Colorless to dark red liquid.
上流・下流製品情報
上流原料
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