1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-

HCID 77672CAS 4053-08-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1OC(=O)c2ccc(Cl)c3cccc1c23
InChIKey
UJEUBSWHCGDJQU-UHFFFAOYSA-N
Molecular formula
C12H5ClO3
Average molar mass
232.62 g/mol
Monoisotopic mass
231.9927217

Names & identifiers

Preferred name
1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-
IUPAC
8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
English name
4-Chloro-1,8-naphthalic anhydride
Molecular formula
C12H5ClO3
Molecular weight
232.62

Names & synonyms

4-Chloro-1,8-naphthalic anhydride4-Chloronapthalic anhydride4-Chloronaphthalene-1,8-dicarboxylic anhydrideEINECS 223-760-71H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-chloro-DTXSID10632796-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-6-Chloro-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneRefChem:236815DTXCID5039775Naphthalic anhydride, 4-chloro-(7CI,8CI)
Show more names
4-chloronaphthalicanhydride4-chloro-naphthalicanhydrid4-CHLORO-1,8-NAPHTHALENEDICARBOXYLIC4-CHLORO-1 8-NAPHTHALIC ANHYDRIDE TECH4-Chloro-1,8-naphthalic anhydride, 94%,6-CHLORONAPHTHO[1,8,8A-C,D]PYRAN-1,3-DIONE
223-760-7UJEUBSWHCGDJQU-UHFFFAOYSA-N4053-08-16-Chlorobenzo[de]isochromene-1,3-dione4-Chloronaphthalic anhydride6-Chloro-1H,3H-benzo[de]isochromene-1,3-dione8-chloro-3-oxatricyclo[7.3.1.0]trideca-1(13),5,7,9,11-pentaene-2,4-dioneMFCD00006928

Database identifiers

CAS
4053-08-1
PubChem CID
77672
DTXSID
DTXSID1063279
ChEMBL
CHEMBL2323370
UNII
3TK8N66ETU
EC Number
223-760-7
Nikkaji
J40.511F

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16

Physicochemical properties

Melting point
202 · 202-206 °C (dec.)
Boiling point
332.56 °C · 332.56°C (rough estimate)
Density
1.3447 · 1.3447 (rough estimate)
refractive index
1.453 · 1.4530 (estimate)
storage temp.
2 · 2-8°C
solubility
DMSO (Sparingly), Methanol (Slightly, Sonicated)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): 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

Regulatory Information · 2 items

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

Status: Active Update: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32820

Safety data

wgk
2
tsca
TSCA listed
rtecs
QL6127295
hs_code
29322985
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-: ACTIVE

Applications

Uses4-Chloro-1,8-naphthalic anhydride is used in dyes and pigments. It is also used in agrochemical, pharmaceutical.

Upstream & downstream products

Suppliers50 total

湖北鑫立恒化工有限公司13164644252
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

12 records
New reaction record

Linked notes

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