1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-

HCID 66493
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Substructure searchFind similar structures

Basic information

CAS
81-86-7
Standard SMILES
O=C1OC(=O)c2ccc(Br)c3cccc1c23
InChIKey
DTUOTSLAFJCQHN-UHFFFAOYSA-N
Molecular formula
C12H5BrO3
Average molar mass
277.07 g/mol
Monoisotopic mass
275.94220612

Names & identifiers

Preferred name
1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-
IUPAC
8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
English name
4-Bromo-1,8-naphthalic anhydride
Molecular formula
C12H5BrO3
Molecular weight
277.07

Names & synonyms

81-86-74-Bromo-1,8-naphthalic anhydride1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-6-bromo-1h,3h-naphtho[1,8-cd]pyran-1,3-dioneEINECS 201-382-3DTXSID00588571H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-6-Bromo-1H,3H-naphtho(1,8-cd)pyran-1,3-dioneRefChem:437750DTXCID6048204201-382-36-Bromobenzo[de]isochromene-1,3-dione
Show more names
4-BROMONAPHTHALIC ANHYDRIDE4-Bromo-1,8-phthalic anhydride4-Bromo-1,8-Napthalic Anhydride4-BroMo-1,8-naphthalic anhydride 95%4-Bromo-1,8-naphthalic Anhydride >4-Bromo-1,8-Naphthalic Anhydride,>98%6-BROMO-BENZO[DE]ISOCHROMENE-1,3-DIONE7-Bromo-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
4-Bromo-1,8-naphthalenedicarboxylic AnhydrideMFCD000069276-Bromo-1H,3H-benzo[de]isochromene-1,3-dione8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dioneSCHEMBL3209544-bromonaphthalene-1,8-dicarboxylic anhydride4-Bromo-1,8-Naphthaltc anhydride6-bromo-1H,3H-naphtho[l,8-cd]pyran-1,3-dione

Database identifiers

CAS
81-86-7
PubChem CID
66493
DTXSID
DTXSID0058857
ChEMBL
CHEMBL2234776
UNII
L39RF44M2Z
EC Number
201-382-3
Nikkaji
J25.130E

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
217 · 217-219 °C (lit.)
Boiling point
467.2 · 467.2±28.0 °C(Predicted)
Density
1.812 · 1.812±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 5.7% (9 of 157) of reports.

Warning

H315 (94.3%): 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 157 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (94.3%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29173990
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-bromo-: ACTIVE

Applications

Uses4-Bromo-1,8-naphthalic Anhydride is used as a starting material in the synthesis of a fluorescent probe for the detection of copper ions in living human LO-2 cell lines.

Upstream & downstream products

Suppliers100 total

湖北鑫立恒化工有限公司13164644252
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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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