Phenolindophenol

HCID 10379CAS 500-85-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C=CC(=Nc2ccc(O)cc2)C=C1
InChIKey
RSAZYXZUJROYKR-UHFFFAOYSA-N
Molecular formula
C12H9NO2
Average molar mass
199.2 g/mol
Monoisotopic mass
199.06332853

Overview

Indophenol is a quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline. It has a role as a dye.

Names & identifiers

Preferred name
Phenolindophenol
IUPAC
4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
English name
INDOPHENOL
Molecular formula
C12H9NO2
Molecular weight
199.21

Names & synonyms

INDOPHENOL500-85-6PhenolindophenolBenzenoneindophenol4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-oneBW444H326BCHEBI:504284-((4-hydroxyphenyl)imino)cyclohexa-2,5-dien-1-oneRefChem:148228207-913-54-((4-Hydroxyphenyl)imino)cyclohexa-2,5-dienone4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
Show more names
NDOPHENOLIndophenol,PhenolindophenolN-(4-Hydroxyphenyl)-1,4-benzoquinone imineN-(P-HYDROXYPHENYL)-P-BENZOQUINONE MONOIMINE4-(4-hydroxyphenylimino)cyclohexa-2,5-dienoneN-(p-Hydroxyphenyl)-p-benzoquinone Monoomine
N-(4-Hydroxyphenyl)-p-benzoquinone monoimine2,5-Cyclohexadien-1-one, 4-((4-hydroxyphenyl)imino)-2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-Sodium BenzenoneindophenolNSC10440EINECS 207-913-5phenol-indophenolMFCD00001621

Database identifiers

CAS
500-85-6
PubChem CID
10379
DTXSID
DTXSID2075425
ChEMBL
CHEMBL3306923
ChEBI
CHEBI:50428
UNII
BW444H326B
EC Number
207-913-5
Nikkaji
J9.397A

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
49.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
Boiling point
360 · 360.0±42.0 °C(Predicted)
Density
1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.
room temp
solubility
Solubility Insoluble in water; soluble in ethanol
form
powder

Safety & regulation

GHS classification

GHS Classification · 6 items

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Skin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
GU5778000
hs_code
2907199090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1): INACTIVE

Applications

UsesIndophenol is an artificial blue metachromatic dye. The formation of Indophenol can be used to determine ammonia and paracetamol by spectrophotometry. Dyes and metabolites.

Upstream & downstream products

Suppliers42 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

Additional notes

DefinitionChEBI: A quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline.

Related reactions

7 records
New reaction record

Linked notes

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