기본 정보
- 표준 SMILES
CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)Cl)cc2)cc1- InChIKey
VTVWTPGLLAELLI-UHFFFAOYSA-N- 분자식
- C14H14ClN3O2S
- 평균 분자량
- 323.8 g/mol
- 단동위원소 질량
- 323.04952537
개요
See also: 4-N,N-Dimethylaminoazobenzene-4'-sulfonyl chloride (annotation moved to).
이름 및 식별자
- 우선 이름
- Dabsyl chloride
- IUPAC
- 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
- 영어명
- DABSYL CHLORIDE
- 분자식
- C14H14ClN3O2S
- 분자량
- 323.8
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
177536-71-9、56512-49-3- PubChem CID
- 91660
- DTXSID
DTXSID801040750- UNII
- DN43EM99LA
- Nikkaji
- J208.345K
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 70.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 445
물리화학적 성질
- 녹는점
- 185 °C · 185 °C (dec.) (lit.)
- 끓는 점
- 483.6 · 483.6±30.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 에 용해됨DMF
- 산도 계수 (pKa)
- 3.27 · 3.27±0.10(Predicted)
- 물리적 상태
- powder to crystaline
- 색상
- 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
화학적 성질
Dark red crystalline
안전 및 규제
안전 데이터
- wgk
- 3
- rtecs
- DB8927800
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29270000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 10-21
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도For 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.
일반 설명Amino 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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