4',5'-Dibrom-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-on

D & C Orange No. 5

HCID 11689CAS 596-03-2
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br
InChIKey
ZDTNHRWWURISAA-UHFFFAOYSA-N
Summenformel
C20H10Br2O5
Durchschnittliche Molmasse
490,1 g/mol
Monoisotopische Masse
487,88949762

Namen und Bezeichner

Bevorzugter Name
D & C Orange No. 5
IUPAC
4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Lokaler Name
4',5'-Dibrom-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-on
Englischer Name
4',5'-DIBROMOFLUORESCEIN
Summenformel
C20H10Br2O5
Molmasse
490.1

Namen und Synonyme

4',5'-DibromofluoresceinEosinic acidJapan Orange 201D&C Orange No. 54',5'-DibromofluororesceinC.I. 45370:1CCRIS 4900D & C Orange no. 5DAIDAI201EINECS 209-876-0BRN 00571895P3H5X9X4Q
Weitere Namen anzeigen
DIBROMOFLUORESCEINCI 45370:14,5-DIBROMOFLUORESCEINEOSIN2JCI 45370C.I.45370ACI 45370.1
Japan Orange No. 2014',5'-Dibromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one5-19-06-00462 (Beilstein Handbook Reference)orange 5Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-4',5'-DIBROMOFLUORESCEIN [MI]4',5'-Dibromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, disodium salt

Datenbank-Bezeichner

CAS
596-03-2
PubChem CID
11689
DTXSID
DTXSID7024904
ChEMBL
CHEMBL3561473
UNII
5P3H5X9X4Q
EC Number
209-876-0
Nikkaji
J69.734F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,8
Polarare Oberfläche (TPSA)
76 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
27

Experimentelle und physikochemische Eigenschaften

CosmeticsHair dyeing
Food AdditivesDrugs, Cosmetics -> FDA Regulatory Status of Color Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section186.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7024904]

Physikochemische Eigenschaften

Schmelzpunkt
270 · 270-273 °C(lit.)
Siedepunkt
633.7 · 633.7±55.0 °C(Predicted)
Dichte
1.6743 · 1.6743 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.501 · 1.5010 (estimate)
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 19.6% (36 of 184) of reports.

Danger

H301 (21.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 184 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-

REACH registered substance: 4',5'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (EC: 209-876-0)

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

Hazard Classes and CategoriesAcute Tox. 3 (21.2%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
32129000
RTECS-Nr.
LM5200000
risk_code
36-25-36/37/38

Chemie und Industrie

Verwendung und Herstellung

Household Products · 2 Einträge

Information on 4 consumer products that contain Orange 5 in the following categories is provided:

Information on 1 consumer products that contain D & C Orange no. 5 in the following categories is provided:

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-: ACTIVE

Anwendungen

Verwenden4'',5''-Dibromofluorescein is a stain with an absorption maximum of 450 nm. Dyes and metabolites, Environmental Testing

Darstellung

synthetischeFluorescein (C.I. Acid Yellow 73, C.I. 45350) in the sodium hydroxide solution two bromination, andmade into a free acid form.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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