基本情報
- CAS
3731-39-3- 標準SMILES
Cc1ccccc1N=Nc1ccc(N(C)C)cc1- InChIKey
PREOKNMPMCPQQJ-UHFFFAOYSA-N- 分子式
- C15H17N3
- 平均分子量
- 239.32 g/mol
- 単同位体質量
- 239.14224756
概要
2'-methyl-4-dimethylaminoazobenzene appears as red crystals or red-orange solid. (NTP, 1992)
名称と識別子
- 優先名称
- N,N-Dimethyl-4-[2-(2-methylphenyl)diazenyl]benzenamine
- IUPAC
- N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline
- 現地名
- 4-(ジメチルアミノ)-2'-メチルアゾベンゼン
- 英語名
- 2'-Methyl-4-dimethylaminoazobenzene
- 分子式
- C15H17N3
- 分子量
- 239.32
名称と別名
3731-39-3N,N-Dimethyl-4-[2-(2-methylphenyl)diazenyl]benzenamineN,N-Dimethyl-4-(2-(2-methylphenyl)diazenyl)benzenamineRefChem:2019212'-METHYL-4-DIMETHYLAMINOAZOBENZENE4-(Dimethylamino)-2'-methylazobenzene2'-Methyl-p-dimethylaminoazobenzene4-Dimethylamino-2'-methylazobenzene2-Methyl-4'-(dimethylamino)azobenzeneAzobenzene, 4-(dimethylamino)-2'-methyl-N,N-Dimethyl-4-(o-tolylazo)anilineAniline, N,N-dimethyl-p-(o-tolylazo)-
名称をさらに表示
4-(ジメチルアミノ)-2'-メチルアゾベンゼン2'-メチル-4-(ジメチルアミノ)アゾベンゼンN,N-ジメチル-4-[(2-メチルフェニル)アゾ]アニリンN,N,2'-トリメチルアゾベンゼン-4-アミンN,N,2′-トリメチルアゾベンゼン-4-アミン2′-メチル-4-(ジメチルアミノ)アゾベンゼン4-(ジメチルアミノ)-2′-メチルアゾベンゼンN,N-ジメチル-4-[2-(2-メチルフェニル)ジアゼン-1-イル]アニリンn,n-dimethyl-p-(o-tolylazo)-anilinn,n-dimethyl-4-(o-tolylazo)-anilinAniline, N,N-dimethyl-4-(o-tolylazo).2-methyl-n,n-dimethyl-4-aminoazobenzeneN,N-dimethyl-4-(o-tolyldiazenyl)aniline
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 28 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 267
実験および物理化学的性質
Chemical ClassesDyes -> Azo Dyes
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point153 to 156 °F (NTP, 1992)
Vapor Pressure0.0000008 [mmHg]
Physical Description
2'-methyl-4-dimethylaminoazobenzene appears as red crystals or red-orange solid. (NTP, 1992)
Red or red-orange solid; [CAMEO] Orange solid; [Avocado MSDS]
物理化学的性質
- 融点
- 74 °C · 74 °C
- 沸点
- 371.98 °C · 371.98°C (rough estimate)
- 比重(密度)
- 0.9908 · 0.9908 (rough estimate)
- 屈折率
- 1.5 · 1.5000 (estimate)
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 3.29 · 3.29±0.10(Predicted)
- 色
- Orange to Amber to Dark red
- EPAの化学物質情報
- 2 · 2-Methyl-4'-(dimethylamino)azobenzene (3731-39-3)
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. (NTP, 1992)
Hazards SummarySeven-week feeding study of rats produced no changes to liver; Emergency treatment: Methemoglobinemia; [HSDB] Dust may be explosive in air; [CAMEO] See 4-Dimethylaminoazobenzene.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsExplosive
Reactivity Profile
2'-METHYL-4-DIMETHYLAMINOAZOBENZENE is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides.
Air and Water ReactionsDust can be explosive when suspended in air at specific concentrations. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
Absorption, Distribution and Excretion
THE LEVEL OF BINDING OF TRITIATED PARA-DIMETHYLAMINOAZOBENZENE & THE NON- CARCINOGENIC 2-METHYL-4-DIMETHYLAMINOAZOBENZENE TO DIFFERENT CELL FRACTIONS OF RAT LIVER & SPLEEN FOLLOWING SINGLE ORAL ADMIN WERE SIMILAR, EXCEPT THAT MORE DNA WAS BOUND TO THE CARCINOGEN BETWEEN 4 & 8 HR AFTER ADMIN. ...BINDING OF CARCINOGENIC 3'-METHYL-4-DIMETHYLAMINOAZOBENZENE TO DNA WAS 6 TIMES GREATER THAN THAT OF 2-METHYL-4-DIMETHYLAMINOAZOBENZENE. WHEN (14)C-LABELED PARA-DIMETHYLAMINOAZOBENZENE OR 2-METHYL-4-DIMETHYLAMINOAZOBENZENE WERE GIVEN CONTINUOUSLY TO RATS IN DIET, BINDING OF 2-METHYL-4-DIMETHYLAMINOAZOBENZENE TO LIVER PROTEIN WAS SLIGHTLY HIGHER THAN THAT OF CARCINOGENIC COMPD. PARA-DIMETHYLAMINOAZOBENZENE, WAS HOWEVER, BOUND MUCH MORE TO DNA OF LIVER THAN WAS NON-CARCINOGENIC ANALOGUE.
応用分野
一般的な説明Red crystals or red-orange solid.
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