로즈 벤갈 락톤

Rose Bengal Lactone

HCID 69439CAS 4159-77-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIKey: IICCLYANAQEHCI-UHFFFAOYSA-N
분자식: C20H4Cl4I4O5
평균 분자량: 973.7 g/mol
단동위원소 질량: 971.4992

이름 및 식별자

우선 이름: Rose Bengal Lactone
IUPAC: 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
현지명: 로즈 벤갈 락톤
영어명: Rose bengal lactone
분자식: C20H4Cl4I4O5
분자량: 973.67

이름 및 동의어

Rose Bengal lactone4159-77-7Solvent Red 141C.I. Solvent Red 141Bengal Rose B4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3h-spiro[2-benzofuran-1,9'-xanthen]-3-oneUNII-BIU7Q7W2SHBIU7Q7W2SHC.I.45440:1DTXSID0048426ROSE BENGAL ACIDEINECS 223-993-4

이름 더 보기

로즈벤갈락톤로즈벵골락톤4’,5’,7’-tetraiodo-droxy-2C.I.Solvent Red 141:C.I.45440:14,5,6,7-Tetrachloro-2’,4’,5’,7’-tetraiodofluoresceinspiro[isobenzofuran-1(3h),9’-[9h]xanthen]-3-one,4,5,6,7-tetrachloro-3’,6’-dihy4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one4,5,6,7-Tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one4,5,6,7-Tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one4',5',6',7'-Tetrachloro-3,6-dihydroxy-2,4,5,7-tetraiodospiro[9H-xanthene-9,1'(3'H)-isobenzofuran]-3'-one

BLUE 7NSC-457324,5,6,7-tetrachloro-2',4',5',7'-tetraiodofluoresceinRose bengal BSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-FLUORESCEIN, 4,5,6,7-TETRACHLORO-2',4',5',7'-TETRAIODO-BENZOIC ACID, 2,3,4,5-TETRACHLORO-6-(6-HYDROXY-2,4,5,7-TETRAIODO-3-OXO-3H-XANTHEN-9-YL)-Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-

데이터베이스 식별자

CAS: 4159-77-7、632-68-8
PubChem CID: 69439
DTXSID: DTXSID0048426
UNII: BIU7Q7W2SH
EC Number: 211-182-8、223-993-4
Nikkaji: J25.139I

물성

구조 계산 물성

XLogP: 8.5
극성 표면적: 76 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 33
형식 전하: 0
복잡도: 780

물리화학적 성질

녹는점: 280 °C · 280 °C (dec.)(lit.)
저장 조건: room temp
끓는 점: 741.8 · 741.8±60.0 °C(Predicted)
밀도: 2.96 · 2.96±0.1 g/cm3(Predicted)
산도 계수 (pKa): 7.03 · 7.03±0.20(Predicted)
물리적 상태: powder
색상: pink to red
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H
InChIKey: IICCLYANAQEHCI-UHFFFAOYSA-N
SMILES: Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1I
EPA: -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo- (4159-77-7)

화학적 성질

Bluish-pink powder. Soluble in water.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.

유해성 정보

Regulatory Information · 2건

Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Not Classified

규제 정보

Regulatory Information · 2건

Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information · 2건

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, potassium salt (1:2): ACTIVE

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-: INACTIVE

응용 분야 · 2건

개요Rose bengal lactone is a potent inhibitor of human metabolism that binds to the proteasome pathway and inhibits the polymerization of tubulin. It has been shown to bind with high affinity to microtubules and inhibit their assembly, which leads to cell death. Rose bengal lactone also binds with high affinity to potassium ion, which may contribute to its anti-cancer effects. This compound has also been found to be an effective inhibitor of goiters in rats by binding with aliphatic hydrocarbons such as cholesterol.

용도Biological stain; colorant for inks, cellulosics, foods, cosmetics, medicine (diagnostic aid).