4-Dimethylaminobenzylidenerhodanine
기본 정보
- CAS
536-17-4- 표준 SMILES
CN(C)c1ccc(/C=C2/SC(=S)NC2=O)cc1- InChIKey
JJRVRELEASDUMY-JXMROGBWSA-N- 분자식
- C12H12N2OS2
- 평균 분자량
- 264.4 g/mol
- 단동위원소 질량
- 264.03910536
이름 및 식별자
- 우선 이름
- 4-Dimethylaminobenzylidenerhodanine
- IUPAC
- (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- 영어명
- 5-(4-Dimethylaminobenzylidene)rhodanine
- 분자식
- C12H12N2OS2
- 분자량
- 264.37
이름 및 동의어
4-DimethylaminobenzylidenerhodanineRefChem:522530536-17-45-(4-Dimethylaminobenzylidene)rhodanine5-(4-(Dimethylamino)benzylidene)-2-mercaptothiazol-4(5H)-onep-Dimethylaminobenzalrhodanine5-(p-dimethylaminobenzylidene)rhodanineMFCD00064857USAF PD-20(5E)-5-[4-(dimethylamino)benzylidene]-2-mercapto-1,3-thiazol-4(5H)-one4-Thiazolidinone, 5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-p-Dimethylaminobenzylidene rhodamine
이름 더 보기
usafpd-20TIMTEC-BB SBB0010245-(4-Dimethylaminobe4-DimethylaminobenzalRose Red Silver ReagentRose Red Silver reagentsDIMETHYLAMINOBENZALRHODANINEp-DimethylaminobenzalrhodaninPARA-DIMETHYLAMINOBEYALRHODANINE
NSC5042p-(Dimethylamino)benzal-5-rhodaninep-(Dimethylamino)benzylidenerhodanine(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneRhodanine, 5-(p-(dimethylamino)benzylidene)-4-(Dimethylaminobenzylidene)rhodanine5-{[4-(dimethylamino)phenyl]methylene}-2-thioxo-1,3-thiazolidin-4-one5-[p-(Dimethylamino)benzylidene]rhodanine
데이터베이스 식별자
- CAS
536-17-4- PubChem CID
- 1273211
- ChEMBL
CHEMBL2000905- EC Number
- 208-625-2
- Nikkaji
- J9.408K
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 89.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 358
실험 및 물리화학적 성질
Chemical ClassesDyes -> Indicator Dyes
Physical DescriptionDeep red solid; [Merck Index] Red powder with a weak odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 285 · 285-288 °C(lit.)
- 밀도
- 1.36 · 1.36±0.1 g/cm3 (20 ºC 760 Torr)
- 굴절률
- 1.595 · 1.5950 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.1 g/10mL · 디옥산: 용해성0.1g/10mL(뜨거운)
- 물리적 상태
- 푹신한 가루
- 산도 계수 (pKa)
- 8.17 · 8.17±0.30(Predicted)
- 색상
- 빨간색
- 수용성
- 993.7 · 물에 불용성, 993.7(mg/L) @ 25°C
- Merck
- 14 · 14,3231
- BRN
- 189065 · 189065
- InChI
- 1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)/b10-7+
- InChIKey
- JJRVRELEASDUMY-JXMROGBWSA-N
- SMILES
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 50% (2 of 4) of reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 4-Thiazolidinone, 5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-
4-Thiazolidinone, 5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (25%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VI8090000
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37-26
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesUsed for the detection of silver, mercury, copper, gold, platinum, and palladium ions; [Merck Index]
General Manufacturing Information4-Thiazolidinone, 5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-: ACTIVE
응용 분야
용도5-(4-Dimethylaminobenzylidene)rhodanine is a silver-specific dye that is used to quantitate the autoradiographic deposition of silver onto X-ray film in a colorimetric assay. 5-(4-Dimethylaminobenzylidene)rhodanine is used as an indicator in the titration of cyanide solution with silver nitrate solution.
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