3,4,9,10-Perylenetetracarboxylic dianhydride

HCID 67191CAS 128-69-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O
InChIKey
CLYVDMAATCIVBF-UHFFFAOYSA-N
Molecular formula
C24H8O6
Average molar mass
392.3 g/mol
Monoisotopic mass
392.03208797

Names & identifiers

Preferred name
3,4,9,10-Perylenetetracarboxylic dianhydride
IUPAC
7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
English name
3,4,9,10-Perylenetetracarboxylic dianhydride
Molecular formula
C24H8O6
Molecular weight
392.32

Names & synonyms

128-69-83,4,9,10-Perylenetetracarboxylic dianhydridePerylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetronePerylo(3,4-cd:9,10-c'd')dipyran-1,3,8,10-tetrone3,4:9,10-Perylenetetracarboxylic anhydride3,4,9,10-Perylenetetracarboxylic 3,4:9,10-dianhydrideDTXSID1059577PTCDA cpdRefChem:90972DTXCID1033901PTCDAPerylene-3,4,9,10-tetracarboxylic dianhydride
Show more names
PIGMENT RED 224Per acidPerylene-3,4,9,10-tetracarboxylic acid dianhydride3,4,9,10-PERYLENETETRACARBOXYLIC 3,4,9,10-DIANHYDRIDEPeryLS1089LT-S920
anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraonePerylenetetracarboxylic anhydridePerylenetetracarboxylic acid dianhydrideC24H8O6Irgazin Red BPTMFCD00006916NSC 79895NH27FW2PET

Database identifiers

CAS
128-69-8
PubChem CID
67191
DTXSID
DTXSID1059577
UNII
NH27FW2PET
EC Number
204-905-3
Nikkaji
J22A

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
86.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
30

Experimental & physicochemical properties

Physical Description · 2 items

CBI

Dark red powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
Boiling point
477.07 °C · 477.07°C (rough estimate)
Density
1.3306 · 1.3306 (rough estimate)
bulk density
300 kg/m3 · 300kg/m3
refractive index
1.52 · 1.5200 (estimate)
Flash point
400 °C · >400°C

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 74.1% (160 of 216) of all reports.

Warning

H315 (24.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (23.6%): 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 216 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 160 of 216 reports by companies.；There are 6 notifications provided by 56 of 216 reports by companies with hazard statement code(s).；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.

Hazard information

Regulatory Information · 4 items

Chemical: Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone

Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11837；Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592

Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See ACID ANHYDRIDES. See Perylene.
Hazard Classes and CategoriesSkin Irrit. 2 (24.1%)；Eye Irrit. 2 (24.1%)；STOT SE 3 (23.6%)

Regulatory information

Regulatory Information · 4 items

Chemical: Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone

Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11837；Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592

Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
10-21
wgk
3
tsca
TSCA listed
hs_code
29173980
Toxicity
LD50 orally in Rabbit: > 10000 mg/kg
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

UsesUsed to make perylene pigments; [ExPub: CPS&Q - Summary Fact Sheet]
U.S. Production2023: 50,000 - <250,000 lb；2022: 50,000 - <250,000 lb；2021: 50,000 - <250,000 lb；2020: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information · 2 items

Plastics Product Manufacturing；Paint and Coating Manufacturing

Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: ACTIVE

Applications · 2 items

Uses3,4,9,10-Perylenetetracarboxylic dianhydride is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is mainly used in air dried and baking enamels, epoxy, polyurethane and polyester based paints. It is also used in printing inks for bank and security documents.

General DescriptionPerylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) is a perylene derivative which forms highly crystalline films and dyes that can be used for a majority of electronic and opto-electronic applications. It provides a high electron mobility due to its low intermolecular distance which results in π-π conjugation.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

14 records
New reaction record

Linked notes

Loading…