基本情報
- CAS
97-35-8- 標準SMILES
CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1- InChIKey
WBGVVXSCGNGJFL-UHFFFAOYSA-N- 分子式
- C11H18N2O3S
- 平均分子量
- 258.34 g/mol
- 単同位体質量
- 258.10381361
名称と識別子
- 優先名称
- Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
- IUPAC
- 3-amino-N,N-diethyl-4-methoxybenzenesulfonamide
- 現地名
- ファスト レッド ITR
- 英語名
- Fast Red ITR
- 分子式
- C11H18N2O3S
- 分子量
- 258.34
名称と別名
3-Amino-N,N-diethyl-4-methoxybenzenesulfonamideBenzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-3-Amino-N,N-diethyl-4-methoxybenzenesulphonamideDTXSID1059151RefChem:563727DTXCID5049021202-575-597-35-8Fast Red ITRFast Red ITR BaseRed ITR baseN1,N1-Diethyl-4-methoxymetanilamide
名称をさらに表示
ファスト レッド ITRアゾイックDC42(ベース)C.I.アゾイックジアゾコンポーネント42(ベース)3-アミノ-4-メトキシ-N,N-ジエチルベンゼンスルホンアミドN1,N1-ジエチル-4-メトキシメタニルアミドファーストレッドベースITRファストレッドITRベースN,N-ジエチル-3-アミノ-4-メトキシベンゼンスルホンアミドダイトーレッドITRベースファストレッドITR3-アミノ-N,N-ジエチル-4-メトキシベンゼンスルホンアミドファーストレッドITRベース２アミノメトキシベンゼン４スルホＮ，Ｎジエチルアミドアゾイックジアゾコンポーネント423‐アミノ‐N,N‐ジエチル‐4‐メトキシベンゼンスルホンアミドCI 37150Red Base ITRFastRedSSBaseFastRedSTRBaseAzoic Diazo NoDaitoRedBaseITRAZOIC DIAZO NO 42
Orle Base Fast Red ITRBrentamine Fast Red ITR Base2-Methoxy-5-(diethylsulfamoyl)anilineC11H18N2O3S2-Methoxy-5-(diethylaminosulfonyl)anilineC.I. 37150MFCD00009045NSC 50670
データベース識別子
- CAS
97-35-8- PubChem CID
- 66804
- DTXSID
DTXSID1059151- ChEMBL
CHEMBL1409972- UNII
- JX9EQ4DY8G
- EC Number
- 202-575-5
- Nikkaji
- J4.948D
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 81 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 322
実験および物理化学的性質
Solubility35.1 [ug/mL] (The mean of the results at pH 7.4)
物理化学的性質
- 融点
- 102 · 102-105°C
- 沸点
- 410.6 · 410.6±55.0 °C(Predicted)
- 比重(密度)
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 貯蔵温度
- room temp
- 溶解性
- 1 · chloroform: methanol (1:1): 1%
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 3.23 · 3.23±0.10(Predicted)
- 色
- White to Light yellow to Light orange
- 主な用途
- 診断アッセイの製造血液学組織学
- InChI
- InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
- InChIKey
- WBGVVXSCGNGJFL-UHFFFAOYSA-N
- SMILES
- C1(S(N(CC)CC)(=O)=O)=CC=C(OC)C(N)=C1
- CAS データベース
- 97 · 97-35-8(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2-Methoxyaniline-5-sulfonic acid diethylamide(97-35-8)
- EPAの化学物質情報
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H371 (25%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；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
Chemical: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/22157
Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Acute Tox. 4 (25%)
法規制情報
Regulatory Information
Chemical: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/22157
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-: ACTIVE
応用分野
説明Fast Red ITR is a nonlinear optical material and can be used in alkaline phosphatase histochemistry. In addition, it is used for dyeing and printing cotton and viscose fabrics. It is the only light pink fast dye among ice dyes and can replace soluble reduced pink IR (soluble indigo pink IR) and bright red base. It can also be used for the printing and dyeing of silk and nylon fabrics.
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上流原料
下流製品
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