Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2'-Benzidinedisulfonic acid
BDSA · BENZIDINE 2,2 DISULFONIC ACID · 70.0%(T) · 2,2'-Benzidinedisulf · Benzidine-2,2'-disuL · 2,2'-disulfobenzidine · 2,2’-disulfo-benzidin · 6,6'-bimetanilic acid
식별자 및 물리적 특성
| CAS No. | 117-61-3 |
|---|---|
| 분자식 | C12H12N2O6S2 |
| 평균 분자량 | 344.4 g/mol |
| 단동위원소 질량 | 344.0136781 g/mol |
| SMILES | Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 |
| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| PubChem CID | 8337 |
| EC No. | 204-200-0 |
| DTXSID | DTXSID3024572 |
화학 및 물리적 성질
| XLogP | -0.3 |
|---|---|
| 극성 표면적 | 178 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 540 |
| 용해도 | less than 1 mg/mL at 68 °F (NTP, 1992) |
| 녹는점 | 347 °F (decomposes) (NTP, 1992)175°C |
| Physical Description | Leaflets or prisms or light purple powder. (NTP, 1992) |
| 끓는 점 | 638.25℃[at 101 325 Pa] |
| 밀도 | 1.5417 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6510 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | -1.85±0.50(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 어두운 보라색 |
| 용해도 | 20°C에서 <0.1g/100mL |
| InChI | InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20) |
| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(N)C=C2S(O)(=O)=O)=CC=C(N)C=C1S(O)(=O)=O |
| LogP(분배 계수) | 1.102 at 24℃ |
| EPA | [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino- (117-61-3) |
화학적 성질
PURPLE CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 19.3% (11 of 57) of reports.WarningH315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572 |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound include eye irritation. |
| 반응성 그룹 | Sulfonates, Phosphonates, and Thiophosphonates, Organic |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (10.5%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DV5230000 |
| 독성 | eye-rbt 500 mg/24H SEV 28ZPAK -,191,72 |
| 관세 코드 | 29215900 |
| 위험 문구(R) | 20/21/22-37/38-36-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-26-36-60-37 |
| 기존화학 물질 | KE-09710 |
용도
용도
4,4'-Diaminobiphenyl-2,2'-disulfonic acid hydrate is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. Benzidine-2,2' -disulfonic acid is used in the production of yellow and red azo dyes.
일반 설명
Leaflets or prisms or light purple powder.
제조 및 합성 방법
생산 방법
2,2'-Benzidinedisulfonic acid is made from the potassium or sodium salt of 3- nitrobenzenesulfonic acid by a gradual reduction using zinc dust and sodium hydroxide solution in a dilute aqueous solution. The product is subsequently rearranged using hydrochloric acid or dilute sulfuric acid. Electrochemical or catalytic reductions are also possible.