Basic information
- CAS
52671-72-4- Standard SMILES
O=C(O)c1ccc2c3c(ccc(C(=O)O)c13)C(=O)OC2=O- InChIKey
YQXRNSHBINARCY-UHFFFAOYSA-N- Molecular formula
- C14H6O7
- Average molar mass
- 286.19 g/mol
- Monoisotopic mass
- 286.01135253
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid
- IUPAC
- 2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8,10-dicarboxylic acid
- English name
- 1,4,5,8-Naphthalenetetracarboxylic acid 1,8-monoanhydride
- Molecular formula
- C14H6O7
- Molecular weight
- 286.19
Names & synonyms
1,3-Dioxo-1H,3H-naphtho[1,8-cd]pyran-6,7-dicarboxylic acid1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acidRefChem:41478452671-72-41,4,5,8-Naphthalenetetracarboxylic acid 1,8-monoanhydride1,3-dioxo-1,3-dihydrobenzo[de]isochromene-6,7-dicarboxylic acid2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8,10-dicarboxylic acid1,3-dioxo-1H,3H-benzo[de]isochromene-6,7-dicarboxylic acidEC 619-817-4SCHEMBL3413891DTXSID20276326YQXRNSHBINARCY-UHFFFAOYSA-N
Show more names
3-dioxo-17-dicarboxylic acid3-dihydrobenzo[de]isochroMene-61,4,5,8-Naphthalintetracarbonsure-1,8-monoanhydrid1,3-Dioxo-1H,3H-naphtho[1,8-cd]pyran-6,7-dicarbonsure1,4,5,8-Napthalenetetracarboxylic acid, 1,4-monoanhydride1H,3H-Naphtho[1,8-cd]pyran-6,7-dicarboxylic acid, 1,3-dioxo-
STK229003AKOS002387758NS00001202Naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydridenaphthalene-1,4,5,8-tetracarboxylic acid 1,8-monoanhydride
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 692.8 · 692.8±45.0 °C(Predicted)
- Density
- 1.769 · 1.769
- pka
- 0.88 · 0.88±0.20(Predicted)
- form
- Powder
- InChI
- 1S/C14H6O7/c15-11(16)5-1-3-7-10-8(14(20)21-13(7)19)4-2-6(9(5)10)12(17)18/h1-4H,(H,15,16)(H,17,18)
- InChIKey
- YQXRNSHBINARCY-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc2C(=O)OC(=O)c3ccc(C(O)=O)c1c23
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 273 · P273-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,N
- Risk Statements
- 36 · 36-50
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 3
- ridadr
- UN 3077
- risk_code
- 36-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36/37-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H400
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Applications
Uses1,4,5,8-Naphthalenetetracarboxylic Acid 1,8-Monoanhydride can be used for graphene compositions.
General DescriptionMay contain varying amounts of tetracarboxylic acid
Upstream & downstream products
Downstream products
Suppliers11 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Gihi Chemicals Co., Limited+86-0571-86217390 +86-18058761490 · [email protected]
Related reactions
2 records
Compound notes
Loading…