4-[Bis(p-hydroxyphenyl)methylen]cyclohexa-2,5-dien-1-on

Aurin

HCID 5100CAS 603-45-2
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Grundinformationen

Standard-SMILES
O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1
InChIKey
FYEHYMARPSSOBO-UHFFFAOYSA-N
Summenformel
C19H14O3
Durchschnittliche Molmasse
290,3 g/mol
Monoisotopische Masse
290,09429431

Überblick

Aurin is a diarylmethane.

Namen und Bezeichner

Bevorzugter Name
Aurin
IUPAC
4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Lokaler Name
4-[Bis(p-hydroxyphenyl)methylen]cyclohexa-2,5-dien-1-on
Englischer Name
ROSOLIC ACID
Summenformel
C19H14O3
Molmasse
290.31

Namen und Synonyme

Aurin603-45-2CorallinAurine4,4'-DihydroxyfuchsoneAurin No. 555C.I. 438002,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-4-[bis(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one85N4AK3JAUDTXSID2022387NSC-7805
Weitere Namen anzeigen
P-ROSOLIC ACIDRosoLCI 43800AURIN GRNsc 7805Aurin 555Rosolic aci
4-(Bis(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one4-(Bis(p-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one2,5-Cyclohexadien-1-one, 4-(bis(4-hydroxyphenyl)methylene)-4(bis(p-hydroxyphenyl)methylene)-2,5-cyclohexadien-1-oneRefChem:115651DTXCID002387210-041-8rosolic acid

Datenbank-Bezeichner

CAS
603-45-2
PubChem CID
5100
DTXSID
DTXSID2022387
ChEMBL
CHEMBL210868
ChEBI
CHEBI:34544
UNII
85N4AK3JAU
EC Number
210-041-8
Nikkaji
J9.443I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
57,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Di- and Triaryl Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDeep red solid; Technical product may be yellowish-brown with a dark green metallic fracture; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]
Collision Cross Section169.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
309 °C · 309°C (decompose)
Siedepunkt
372.4 °C · 372.4°C (rough estimate)
Dichte
1.2497 · 1.2497 (rough estimate)
Brechungsindex
1.42 · 1.4200 (estimate)
storage temp.
Store at room temperature.
Löslichkeit
Practically insoluble in water, benzene; freely soluble in ethanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Aurin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA moderate irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29145090
risk_code
36/37/38-36/38
hazard_code
Xi
safety_code
26-36-37/39

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a dye intermediate; [Merck Index]
General Manufacturing Information2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenRosolic acid is used as a pH indicator in the range from 5.0 to 6.8. It acts as an intermediate in the manufacturing dyes. It is involved in the activation of heme oxygenase and in the inhibition of DNA fragmentation. It finds application in the selective isolation of coliform bacteria.

Vor- und 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]
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]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

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