2-メトキシ-4-ニトロアニリン
2-Methoxy-4-nitroaniline
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基本情報
- CAS
97-52-9- 標準SMILES
COc1cc([N+](=O)[O-])ccc1N- InChIKey
GVBHRNIWBGTNQA-UHFFFAOYSA-N- 分子式
- C7H8N2O3
- 平均分子量
- 168.15 g/mol
- 単同位体質量
- 168.05349212
概要
used as a dye in the textile and printing industries; structure in first source
名称と識別子
- 優先名称
- 2-Methoxy-4-nitroaniline
- IUPAC
- 2-methoxy-4-nitroaniline
- 現地名
- 2-メトキシ-4-ニトロアニリン
- 英語名
- 2-Methoxy-4-nitroaniline
- 分子式
- C7H8N2O3
- 分子量
- 168.15
名称と別名
2-METHOXY-4-NITROANILINE97-52-94-Nitro-o-anisidineBenzenamine, 2-methoxy-4-nitro-Fast Red B Base2-Amino-5-nitroanisoleFast Red Base BKako Red B BaseRed B BaseDaito Red Base BDiazo Fast Red Bp-Nitro-o-anisidine
名称をさらに表示
2-メトキシ-4-ニトロアニリン4-ニトロ-o-アニシジン5-ニトロ-2-アミノアニソールファーストレッドBベース4-ニトロ-2-(メトキシ)アニリンファーストレッドB-TベースダイトーレッドベースBファーストレッドベースBアゾイックDC5(ベース)C.I.アゾイックジアゾコンポーネント5(ベース)2-メトキシ-4-ニトロベンゼンアミンカコーレッドBベースショーワファーストレッドBベース2メトキシ4ニトロアニリン1-アミノ-2-メトキシ-4-ニトロベンゼン2‐メトキシ‐4‐ニトロアニリン2-アミノ-5-ニトロアニソールFAST RED BRED B ASEMETHOXY-4-NITROANILINE4-NITRO-ORTHO-ANISIDINEAZOIC DIAZO COMPONENT 54-NITRO-2-METHOXYANILINE2-Methoxy-4-nitrobenzenamine
Azoamine Pink ODiabase Red BFast Red 5NA Base5-Nitro-2-anisidineDevol Red ERed Base Ciba VRed Base Irga VRed Base NB
データベース識別子
- CAS
97-52-9- PubChem CID
- 7337
- DTXSID
DTXSID0038700- ChEMBL
CHEMBL1518220- UNII
- DPU26P1846
- EC Number
- 202-588-6
- Nikkaji
- J96.207D
物性
構造計算による物性補完中
- XLogP
- 1.5
- 極性表面積
- 81.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 169
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical Description
CBI
Deep yellow solid; [NTP] Powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 140 · 140-142 °C(lit.)
- 沸点
- 337.07 °C · 337.07°C (rough estimate)
- 比重(密度)
- 1 · 1,211 g/cm3
- 屈折率
- 1.601 · 1.6010 (estimate)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.2 g/リットル · 0.2g/リットル
- 酸解離定数(Pka)
- 1.02 · 1.02±0.10(Predicted)
- 外見
- 結晶性粉末
- 色
- 黄色からオレンジ
- PH
- 6.2 · 6.2 (0.2g/l, H2O, 20℃)
- 水溶解度
- わずかに溶ける
- BRN
- 879619 · 879619
- InChI
- 1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
- InChIKey
- GVBHRNIWBGTNQA-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 0.5% (1 of 211) of reports.
Warning
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 211 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 2-methoxy-4-nitro-
Benzenamine, 2-methoxy-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-methoxy-4-nitro- 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)
Status: Active Update: 14-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6899
2-Methoxy-4-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenamine, 2-methoxy-4-nitro-: Human health tier II assessment
Hazards Summary
Suspected of being able to induce methemoglobinemia; Of 14 dye-stuff employees with positive patch test reactions to dye-stuffs, only 1 showed sensitization to this compound; Not a skin or eye irritant in rabbits; No evidence of skin sensitization in guinea pig maximization test; No formation of methemoglobin or increased Heinz bodies detected in cats following oral administration; [NTP] A 28-day oral study of rats produced changes in hematology, increased absolute and relative liver and spleen weights, myocardial necrosis, extramedullary hematopoiesis in the spleen, and a NOEL of 30 mg/kg/day; [JECDB] An irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; Suspected mutagen; [Alfa Aesar MSDS] See p-Nitroaniline. See 5-Nitro-o-anisidine.
化学と産業
用途と製造
Uses
Used mainly as an intermediate for Pigment Yellow 74 (azo dye); Also used to dye textiles, as a chromogenic agent in the printing industry, and may have minor applications in histological staining; [NTP] Used to make fine chemicals; [ECHA REACH Registrations]
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenamine, 2-methoxy-4-nitro-: ACTIVE
応用分野
用途医薬?染料中間体、染料助剤
用途分散染料の中間体
使用2-Methoxy-4-nitroaniline is used as a photometric reagent for the determination of ethinylestradiol (ETE), a semi-synthetic estrogen that is widely used in oral contraceptives.
一般的な説明2-Methoxy-4-nitroaniline is an important inducer of CYP1A2 owing to its small molecular size.
上流・下流製品情報
上流原料
関連反応
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