2,2'-Benzidinedisulfonic acid
기본 정보
- CAS
117-61-3- 표준 SMILES
Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1- InChIKey
MBJAPGAZEWPEFB-UHFFFAOYSA-N- 분자식
- C12H12N2O6S2
- 평균 분자량
- 344.4 g/mol
- 단동위원소 질량
- 344.0136781
개요
Leaflets or prisms or light purple powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2,2'-Benzidinedisulfonic acid
- IUPAC
- 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
- 영어명
- 2,2'-Benzidinedisulfonic acid
- 분자식
- C12H12N2O6S2
- 분자량
- 344.36
이름 및 동의어
117-61-3Benzidine-2,2'-disulfonic acid2,2'-Benzidinedisulfonic acid6,6'-Bimetanilic acid2,2'-Disulfobenzidine4,4'-Diamino-[1,1'-biphenyl]-2,2'-disulfonic acid[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-Benzidine-2,2'-disulphonic acid4,4'-Diaminobiphenyl-2,2'-disulfonic acidBenzidine, 2,2'-disulfo-4,4'-Diamino-2,2'-biphenyldisulfonic acidKyselina benzidin-2,2'-disulfonova
이름 더 보기
BDSABENZIDINE 2,2 DISULFONIC ACID70.0%(T)2,2'-BenzidinedisulfBenzidine-2,2'-disuL2,2’-disulfo-benzidinBENZIDINEDISULPHONICACIDBiphenylaminesulfonic acid
NSC 37634,4'-Diaminodiphenyl-2,2'-disulfonic acidEINECS 204-200-0ALF643N2EQBRN 2675524AI3-220514,4'-Diamino-(1,1'-biphenyl)-2,2'-disulfonic acidKyselina benzidin-2,2'-disulfonova [Czech]
데이터베이스 식별자
- CAS
117-61-3- PubChem CID
- 8337
- DTXSID
DTXSID3024572- UNII
- ALF643N2EQ
- EC Number
- 204-200-0
- Nikkaji
- J5.292B
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 178 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 540
실험 및 물리화학적 성질
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point347 °F (decomposes) (NTP, 1992)
Physical DescriptionLeaflets or prisms or light purple powder. (NTP, 1992)
물리화학적 성질
- 녹는점
- 175 °C · 175°C
- 끓는 점
- 638.25 ℃[at · 638.25℃[at 101 325 Pa]
- 밀도
- 1.5417 · 1.5417 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.651 · 1.6510 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- -1.85 · -1.85±0.50(Predicted)
- 물리적 상태
- 가루
- 색상
- 어두운 보라색
- 수용성
- 20 °C에서 · 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 19.3% (11 of 57) of reports.
Warning
H315 (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.
유해성 정보
Regulatory InformationStatus: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include eye irritation.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (10.5%)
안전 및 보호
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
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.
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-: ACTIVE
응용 분야
용도4,4'-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 설명Leaflets or prisms or light purple powder.
제조 방법
생산 방법2,2'-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.
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