2,4-디아미노벤젠 설폰산
2,4-디아미노벤젠설폰산 · 1,3-페닐렌다이아민-4-술폰산 · 1,3-다이아미노벤젠-4-술폰산 · 1,3-다이아미노벤젠-6-술폰산 · 1,3-다이아미노벤젠술폰산 · 2,4-다이아미노젠젠술폰산 · 4-술포-1,3-다이아미노벤젠 · m-페닐렌다이아민-4-술폰산
식별자 및 물리적 특성
| CAS No. | 88-63-1 |
|---|---|
| 분자식 | C6H8N2O3S |
| 평균 분자량 | 188.21 g/mol |
| 단동위원소 질량 | 188.0255633 g/mol |
| SMILES | Nc1ccc(S(=O)(=O)O)c(N)c1 |
| InChIKey | JVMSQRAXNZPDHF-UHFFFAOYSA-N |
| PubChem CID | 66623 |
| ChEMBL | CHEMBL3184102 |
| EC No. | 201-846-5 |
| DTXSID | DTXSID3044465 |
| 현지명 | 2,4-디아미노벤젠 설폰산 |
화학 및 물리적 성질
| XLogP | -1 |
|---|---|
| 극성 표면적 | 115 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 246 |
| Collision Cross Section | 137.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3044465] |
| 녹는점 | 260-266 °C (dec.) |
| 끓는 점 | 500°C (estimate) |
| 밀도 | 1.366 (estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6490 (estimate) |
| 저장 조건 | -20°C Freezer, Under inert atmosphere |
| 용해도 | DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 2.99±0.10(Predicted) |
| 색상 | 흰색에서 연한 노란색 |
| 용해도 | 1000g/L at 25℃ |
| BRN | 2694057 |
| InChI | 1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11) |
| InChIKey | JVMSQRAXNZPDHF-UHFFFAOYSA-N |
| SMILES | Nc1ccc(c(N)c1)S(O)(=O)=O |
| LogP(분배 계수) | -4.65 |
| EPA | Benzenesulfonic acid, 2,4-diamino- (88-63-1) |
화학적 성질
brown crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 11.1% (10 of 90) of reports.WarningH315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (81.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 90 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 10 of 90 reports by companies.There are 5 notifications provided by 80 of 90 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzenesulfonic acid, 2,4-diamino-Status: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17689Status: Active Update: 11-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27862 |
| Hazard Classes and Categories | Skin Irrit. 2 (83.3%)Skin Sens. 1 (81.1%)Eye Irrit. 2 (83.3%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DB5900000 |
| 운송 번호(UN) | 1759 |
| 관세 코드 | 29309090 |
| 위험 문구(R) | 36/38-43-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) |
용도
용도
2,4-Diaminobenzenesulfonic acid was used in preparation of series of sulfonated homo- and random co-polyimides.
일반 설명
2,4-Diaminobenzenesulfonic acid is an sulfonated aromatic amine and its aerobic biodegradation was reported.
제조 및 합성 방법
생산 방법
2,4-Diaminobenzenesulfonic acid is obtained by sulfonating a solution of m-phenylenediamine in 100% sulfuric acid with oleum at 155 ℃, adding water to the sulfonation mixture, desulfonating the resulting disulfonic acids at 140 ℃, and isolating the free acid at 10 ℃; yield 93%. Another process starts from 1-chloro-2,4-dinitrobenzene, which, as an alcoholic solution, is reacted with sodium sulfite solution to form 2,4-dinitrobenzenesulfonic acid, from which the end product is obtained by reduction with iron according to BE′CHAMP.