4-ジメチルアミノベンズアルデヒド
4-(Dimethylamino)Benzaldehyde
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基本情報
- CAS
100-10-7- 標準SMILES
CN(C)c1ccc(C=O)cc1- InChIKey
BGNGWHSBYQYVRX-UHFFFAOYSA-N- 分子式
- C9H11NO
- 平均分子量
- 149.19 g/mol
- 単同位体質量
- 149.08406397
概要
4-(dimethylamino)benzaldehyde is a member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. It has a role as a chromogenic compound. It is a member of benzaldehydes, a substituted aniline and a tertiary amino compound.
名称と識別子
- 優先名称
- 4-(Dimethylamino)Benzaldehyde
- IUPAC
- 4-(dimethylamino)benzaldehyde
- 現地名
- 4-ジメチルアミノベンズアルデヒド
- 英語名
- 4-Dimethylaminobenzaldehyde
- 分子式
- C9H11NO
- 分子量
- 149.19
名称と別名
4-(DIMETHYLAMINO)BENZALDEHYDE100-10-74-Dimethylaminobenzaldehydep-DimethylaminobenzaldehydeEhrlich's reagentBenzaldehyde, 4-(dimethylamino)-p-Formyldimethylanilinep-(Dimethylamino)benzaldehydep-Formyl-N,N-dimethylaniline4-DimethylaminobenzenecarbonalN,N-Dimethyl-p-aminobenzaldehydeReagens ehrlichovo
名称をさらに表示
4-ジメチルアミノベンズアルデヒドエールリッヒ試薬4-(ジメチルアミノ)ベンゼンカルボアルデヒドp-(ジメチルアミノ)ベンズアルデヒド1-ホルミル-4-(ジメチルアミノ)ベンゼン4-(ジメチルアミノ)ベンズアルデヒドp-ジメチルアミノベンズアルデヒド1-(ジメチルアミノ)-4-ホルミルベンゼン4（N，Nジメチルアミノ）ベンズアルデヒドN，N-ジメチルアミノベンズアルデヒドP‐ジメチルアミノベンズアルデヒド4-(ジメチルアミノ)ベンズアルデヒド FOR THE DETERMINATION OF HYDROXYPROLINE,≥99.0% (HPLC)P-ジメチルアミノベンズアルデヒド 4-ジメチルアミノベンズアルデヒド4-N,N-ジメチルベンズアルデヒド4-(ジメチルアミノ)ベンズアルデヒド 溶液KOVACインドール試薬DIMETHYLAMINOBENZALDEHYDEp-DABpara-Dimethylaminobenzaldehyde4-Dimethylaminobenzaldehyde 、p-DimethylaminobenzaldehydeEhrlichsNSC 5517D2004-100G
p-(N,N-Dimethylamino)benzaldehydeDTXSID5021835V7E88PR1YBNSC-5517DTXCID601835CHEBI:91114RefChem:97438202-819-0
データベース識別子
- CAS
100-10-7- PubChem CID
- 7479
- DTXSID
DTXSID5021835- ChEMBL
CHEMBL3188333- ChEBI
CHEBI:91114- UNII
- V7E88PR1YB
- EC Number
- 202-819-0
- Nikkaji
- J4.002I
物性
構造計算による物性補完中
- XLogP
- 1.8
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 126
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Melting Point74 °C
Physical Description
Dry Powder
Solid; Unless extremely pure is lemon-colored possibly turning pink on light exposure; [Merck Index] White crystalline solid; May be discolored by light and air; [Sigma-Aldrich MSDS]
Collision Cross Section129.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5021835]
物理化学的性質
- 融点
- 74 °C · 74 °C (165 °F; 347 K)
- 沸点
- 176 to · 176 to 177 °C (349 to 351 °F; 449 to 450 K)
- 比重(密度)
- 1.1 g/mL · 1.1 g/mL
- 蒸気圧
- 0.1 hPa · <0.1 hPa (20 °C)
- 屈折率
- 20 · n 20/D 1.400-1.420
- 闪点
- 164 °C · 164 °C (327 °F; 437 K)
- 貯蔵温度
- 2 · 2-8°C
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 7.4% (11 of 148) of reports.
Warning
H317 (72.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzaldehyde, 4-(dimethylamino)-
Benzaldehyde, 4-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde, 4-(dimethylamino)- 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: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21755
p-Dimethylaminobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses general anesthesia, somnolence, and ataxia in oral and intraperitoneal lethal-dose studies of mice; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Benzaldehyde and N,N-Dimethyl-p-toluidine.
Hazard Classes and CategoriesSkin Sens. 1 (72.3%)
安全と保護具
Protective Action Criteria (PAC)
3.7 [mg/m3]
41 [mg/m3]
250 [mg/m3]
毒性情報
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
用途と製造
UsesUsed as a reagent and to make dyes; [Merck Index]
U.S. Production2023: 2,866 lb
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzaldehyde, 4-(dimethylamino)-: ACTIVE
応用分野
解説ジメチルアミノベンズアルデヒド，通常は淡黄色の粒状晶。融点 74℃。光によって桃色に変る。水にわずかに溶け，アルコールにはよく溶ける。塩酸に溶け，濃塩酸溶液はウロビリノーゲンの検出試薬として用いられる。アルコール溶液はアルカリ性で活性メチレンをもつ化合物と反応して呈色し，インドールやピロール誘導体の検出に用いられる (いずれもエールリヒ反応と呼ばれることがある) 。
用途定量試薬(ヒドラジン、ウロビリノーゲン）、アルカロイド、含窒素化合物の検出試薬、有機合成(色素等)原料。
使用4-Dimethylaminobenzaldehyde is used to prepare colorful Schiff base adducts with amines, pyrroles and indoles. It is often used in the Ehrlich reaction, test for the presence of indoles in a sample containing alkaloids and determination of hydrazine.
一般的な説明Kovac′s reagent for indoles is a solution of 4-(dimethylamino)benzaldehyde and hydrochloric acid in n-butanol.
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