기본 정보
- 표준 SMILES
O=C1OC2(c3cc(Br)c([O-])c(Br)c3Oc3c2cc(Br)c([O-])c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[Na+].[Na+]- InChIKey
OOYIOIOOWUGAHD-UHFFFAOYSA-L- 분자식
- C20H2Br4Cl4Na2O5
- 평균 분자량
- 829.6 g/mol
- 단동위원소 질량
- 823.51852
이름 및 식별자
- 우선 이름
- Acid Red 92
- IUPAC
- disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
- 현지명
- 식용 적색 104호
- 영어명
- Acid Red 92
- 분자식
- C20H5Br4Cl4NaO5
- 분자량
- 809.66
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
18472-87-2- PubChem CID
- 6433718
- DTXSID
DTXSID1031090- Nikkaji
- J4.465B
물성
구조 계산 물성
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 780
실험 및 물리화학적 성질
Physical Description
Liquid; Wet Solid; Other Solid
Brick red to brown solid; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 250 °C · >250°C
- 밀도
- 0.871 · 0.871[at 20℃]
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- Store at RT.
- 용해도
- 100 g/L · 100g/L
- 물리적 상태
- 분말/고체
- 색상
- 적갈색
- 수소이온지수(pH)
- 9.7 · 9.7 (1g/l, H2O, 20℃)
- 수용성
- 1 mg/mL, · water: 1mg/mL, clear, red
- BRN
- 3887100 · 3887100
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 주요 응용
- 광 도파관, 색 필터, 석판 인쇄판, 디스플레이 장치, 치과 기기 시각화, 잉크, 형광펜, 직물, 염색약, 화장품, 치태 시각화, 감염성 질환 치료, 항암제
- 화장품 원료 기능
- 색소머리 염색
- InChI
- 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2
- InChIKey
- OOYIOIOOWUGAHD-UHFFFAOYSA-L
- SMILES
- [Na+].[Na+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br
- LogP
- 0.165 at · 0.165 at 25℃
- EPA
- Phloxine B (18472-87-2)
화학적 성질
red-brown powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.3% (17 of 234) of reports.
Warning
H319 (56.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H373 (31.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H412 (38%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264+P265, P273, P280, P305+P351+P338, P319, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 17 of 234 reports by companies.;There are 8 notifications provided by 217 of 234 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.
유해성 정보
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402
Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes no skin and mild to moderate eye irritation in rabbits; Not a skin sensitizer in a local lymph node assay (LLNA) of mice; Mild maternal toxicity but no embryotoxicity or teratogenicity observed in rats at 250 mg/kg/day; [SCCS (Scientific Committee on Consumer Safety), Opinion on Acid Red 92, 27 March 2012] May cause irritation; [Sigma-Aldrich MSDS] See Rose Bengal.
규제 정보
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402
Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LM5900000
- 독성
- LD50 orally in Rabbit: 2870 mg/kg
- HS 번호
- 32041200
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- 기존화학 물질
- KE-06725
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Uses
Used as a histological and bacterial stain, and colorant for cosmetics, drugs, inks, lacquers, wool, nylon, jute, leather, silk, and acid dyeable acrylics; [Merck Index] Used in hair dye formulations; [SCCS (Scientific Committee on Consumer Safety), Opinion on Acid Red 92, 27 March 2012] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Pigments, Binders, and Biocides) [Category: Paint];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry];Dressing Hair [Category: Other]
응용 분야
용도Phloxine B acts as the sensitizers of dye-sensitized solar cells. Also, it is a fluorescein photoactive dye. Dyes and metabolites, Environmental Testing.
제조 방법
the Resorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, get 3,4,5,6-Tetrachlorophthalic acid four bromination, and translated into sodium salt.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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