Basic information
- CAS
699-98-9- Standard SMILES
O=C1OC(=O)c2ncccc21- InChIKey
MCQOWYALZVKMAR-UHFFFAOYSA-N- Molecular formula
- C7H3NO3
- Average molar mass
- 149.1 g/mol
- Monoisotopic mass
- 149.01129296
Names & identifiers
- Preferred name
- Furo[3,4-b]pyridine-5,7-dione
- IUPAC
- furo[3,4-b]pyridine-5,7-dione
- English name
- 2,3-Pyridinedicarboxylic anhydride
- Molecular formula
- C7H3NO3
- Molecular weight
- 149.1
Names & synonyms
2,3-Pyridinedicarboxylic anhydrideFuro[3,4-b]pyridine-5,7-dionePyridine-2,3-dicarboxylic anhydrideFuro(3,4-b)pyridine-5,7-dione2B2I45ZOD6quinolinic acid anhydrideUNII-2B2I45ZOD6NSC 443092,3-pyridinedicarboxylic acid anhydrideEINECS 211-834-1PYRIDINIC ANHYDRIDENSC-44309
Show more names
Quinoline anhydrideQUINOLINIC ANHYDRIDE2,3-Pyridinedicarbox2,3-pyridine anhydridePyridinedicarboxylicanhydride
DTXSID10610231,3-DIOXOLO(4,5-B)PYRIDIN-2-ONERefChem:141820Furo(3,4b)pyridine5,7dioneFuro3,4-bpyridine-5,7-dioneDTXCID7046596Pyridine2,3dicarboxylic anhydrideMCQOWYALZVKMAR-UHFFFAOYSA-N
Database identifiers
- CAS
699-98-9- PubChem CID
- 69688
- DTXSID
DTXSID1061023- UNII
- 2B2I45ZOD6
- EC Number
- 211-834-1
- Nikkaji
- J88D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesChemical shift
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 137 · 137-139 °C (lit.)
- Boiling point
- 270.14 °C · 270.14°C (rough estimate)
- Density
- 1.4974 · 1.4974 (rough estimate)
- refractive index
- 1.4835 · 1.4835 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -2.24 · -2.24±0.20(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- Water Solubility
- Optimal solubility in water.
- Sensitive
- Moisture Sensitive
- BRN
- 125111 · 125111
- InChI
- InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H
- InChIKey
- MCQOWYALZVKMAR-UHFFFAOYSA-N
- SMILES
- C12C(=O)OC(=O)C1=CC=CN=2
- CAS DataBase Reference
- 699 · 699-98-9(CAS DataBase Reference)
- FDA UNII
- 2 B2I45ZOD6 · 2B2I45ZOD6
- NIST Chemistry Reference
- 2 · 2,3-Pyridinedicarboxylic anhydride(699-98-9)
- EPA Substance Registry System
- 3 · Furo[3,4-b]pyridine-5,7-dione (699-98-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
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 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationFuro3,4-bpyridine-5,7-dione: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFuro[3,4-b]pyridine-5,7-dione: ACTIVE
Applications
UsesQuinolinic Anhydride (cas# 699-98-9) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
73 records
Compound notes
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