5,7,12,14-Pentacenetetrone

HCID 4733CAS 23912-79-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1c2ccccc2c(=O)c2cc3c(=O)c4ccccc4c(=O)c3cc12
InChIKey
YZOGOBWHTVNKGA-UHFFFAOYSA-N
Molecular formula
C22H10O4
Average molar mass
338.3 g/mol
Monoisotopic mass
338.0579088

Names & identifiers

Preferred name
5,7,12,14-Pentacenetetrone
IUPAC
pentacene-5,7,12,14-tetrone
English name
5,7,12,14-Pentacenetetrone
Molecular formula
C22H10O4
Molecular weight
338.31

Names & synonyms

5,7,12,14-Pentacenetetrone23912-79-0DTXSID90178626RefChem:101239DTXCID50101117678-418-3pentacene-5,7,12,14-tetronePENTACENE-5,7,12,14-TETRAONEMFCD000752092.3-PhthalylanthrachinonSCHEMBL796579SY115550
Show more names
Pentacenetetrone5,7,12,14-Pentacenetetrone>5,7,12,14-PENTACENETETRAQUINONE5,7,12,14-PENTACENETETRONE, 95.0+%(LC)5,7,12,14-TETRAOXO-5,7,12,14-TETRAHYDROPENTACENE
CS-0333511P1710T72130571214-Pentacenetetrone5,7,12,14-Tetraoxo-SCHEMBL29441228C22H10O4AKOS004902465

Database identifiers

CAS
23912-79-0
PubChem CID
4733
DTXSID
DTXSID90178626
EC Number
678-418-3
Nikkaji
J456.387E

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
68.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
26

Physicochemical properties

Melting point
400 °C · 400 °C
Boiling point
597.4 · 597.4±50.0 °C(Predicted)
Density
1.479 · 1.479±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
powder to lump
color
White to Green to Brown

Safety & regulation

GHS classification

GHS Classification · 4 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2914.69.9000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H315-H319-H335

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers31 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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