클로르아미노펜아미드
클로르아미노펜아미드 · 4-아미노-6-클로로벤젠-1,3-디술폰아미드 · CHLORAMINOPHENAMIDE · 4-AMINO-6-CHLORO-1,3-BENZENEDISULFONAMIDE · Benzothiadiazine Related CoMpound A · Hydrochlorothiazide EP Impurity B · 4-amino-6-chloro-1,3-benzenedisulphonamide · Salmid
식별자 및 물리적 특성
| CAS No. | 121-30-2 |
|---|---|
| 분자식 | C6H8ClN3O4S2 |
| 평균 분자량 | 285.7 g/mol |
| 단동위원소 질량 | 284.9644758 g/mol |
| SMILES | Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O |
| InChIKey | IHJCXVZDYSXXFT-UHFFFAOYSA-N |
| PubChem CID | 67136 |
| ChEMBL | CHEMBL266240 |
| ChEBI | CHEBI:3602 |
| EC No. | 204-463-1 |
| DTXSID | DTXSID1059521 |
| 현지명 | 클로르아미노펜아미드 |
화학 및 물리적 성질
| XLogP | -0.5 |
|---|---|
| 극성 표면적 | 163 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 451 |
| 의약품 | Pharmaceuticals -> Metabolite of Hydrochlorthiazide |
| LogP(분배 계수) | -0.56 |
| 녹는점 | 257-261 °C(lit.) |
| 끓는 점 | 614.4±65.0 °C(Predicted) |
| 밀도 | 1.584 (estimate) |
| 굴절률 | 1.6100 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 9.24±0.60(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,2076 |
| BRN | 1083877 |
| InChI | InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14) |
| InChIKey | IHJCXVZDYSXXFT-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=C(Cl)C=C(N)C(S(N)(=O)=O)=C1 |
| EPA | 1,3-Benzenedisulfonamide, 4-amino-6-chloro- (121-30-2) |
화학적 성질
Light Brown Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 66.7% (20 of 30) of all reports.WarningH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 30 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,3-Benzenedisulfonamide, 4-amino-6-chloro-REACH registered substance: 4-amino-6-chlorobenzene-1,3-disulphonamide (EC: 204-463-1)1,3-Benzenedisulfonamide, 4-amino-6-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (20%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29350090 |
| 위험 문구(R) | 23/24-33-20/21 |
| 위험 표시 | T |
| 안전 문구(S) | 28-36/37-36/37/39-26-22 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
4-Amino-6-chlorobenzene-1,3-disulfonamide is obtained by treating the chloride with ammonia in tert-butanol and concentrating the solution by evaporation; the yield is 80 %. Condensation with formic acid gives 6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide, an important diuretic.
용도
Diuretic.
일반 설명
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.