基本情報
- 標準SMILES
CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)Cl)cc2)cc1- InChIKey
VTVWTPGLLAELLI-UHFFFAOYSA-N- 分子式
- C14H14ClN3O2S
- 平均分子量
- 323.8 g/mol
- 単同位体質量
- 323.04952537
概要
See also: 4-N,N-Dimethylaminoazobenzene-4'-sulfonyl chloride (annotation moved to).
名称と識別子
- 優先名称
- Dabsyl chloride
- IUPAC
- 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
- 現地名
- ダブシルクロリド
- 英語名
- DABSYL CHLORIDE
- 分子式
- C14H14ClN3O2S
- 分子量
- 323.8
名称と別名
名称をさらに表示
データベース識別子
- CAS
177536-71-9、56512-49-3- PubChem CID
- 91660
- DTXSID
DTXSID801040750- UNII
- DN43EM99LA
- Nikkaji
- J208.345K
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 70.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 445
物理化学的性質
- 融点
- 185 °C · 185 °C (dec.) (lit.)
- 沸点
- 483.6 · 483.6±30.0 °C(Predicted)
- 比重(密度)
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 貯蔵温度
- room temp
- 溶解性
- DMF:可溶
- 酸解離定数(Pka)
- 3.27 · 3.27±0.10(Predicted)
- 外見
- powder to crystaline
- 色
- Orange to Brown to Dark red
- BRN
- 3064095 · 3064095
- InChI
- 1S/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3/b17-16+
- InChIKey
- VTVWTPGLLAELLI-WUKNDPDISA-N
- SMILES
- CN(C)c1ccc(cc1)\N=N\c2ccc(cc2)S(Cl)(=O)=O
- CAS データベース
- 56512 · 56512-49-3(CAS DataBase Reference)
化学的性質
化学的特性Dark red crystalline
安全と法規制
安全データ
- F
- 10-21
- wgk
- 3
- rtecs
- DB8927800
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29270000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
応用分野
使用For the qualitative and quantitative identification of amino acids and for the determination of N-terminal amino acids. Used in the determination of primary and secondary amines by HPLC.
一般的な説明Amino groups are common to many biological compounds and many amines used in pharmaceuticals. Most of these compounds show weak absorption in direct HPLC analysis with UV-VIS detection. However, strongly absorbing derivatives of amines can be easily detected by HPLC with high sensitivity even when present at low concentrations. Primary and secondary amino groups are usually derivatized as aromatic derivatives by nucleophilic substitution reactions using reagents such as arylsulfonyl chlorides.4-(Dimethylamino)azobenzene-4′-sulfonyl chloride, a well-known UV-labeling agent, is generally used for the derivatization of N-terminal amino acids, imidazole derivatives, polyamines, etc. prior to their chromatographic determination due to the former′s capacity to covalently bind to the substrates. Its derivatives typically absorb UV radiation between the range of 436-460 nm. This method of derivatization is regarded as superior compared to other methods owing to the simplicity of the procedure, high stability and reproducibility, best resolution of the analytes, etc.
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