Basic information
- CAS
24202-79-7- Standard SMILES
COC(=O)c1cnccc1C(=O)O- InChIKey
GTCDOGAERTYZBT-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- 3-(Methoxycarbonyl)pyridine-4-carboxylic acid
- IUPAC
- 3-methoxycarbonylpyridine-4-carboxylic acid
- English name
- 3-(Methoxycarbonyl)isonicotinic acid
- Molecular formula
- C8H7NO4
- Molecular weight
- 181.15
Names & synonyms
3-(METHOXYCARBONYL)PYRIDINE-4-CARBOXYLIC ACIDRefChem:495401865-819-53-(methoxycarbonyl)isonicotinic acid24202-79-73-methoxycarbonylpyridine-4-carboxylic acidMFCD04971409pyridine-3,4-dicarboxylic acid 3-methyl ester3,4-Pyridinedicarboxylicacid, 3-methyl ester3,4-Pyridinedicarboxylic acid, 3-methyl ester3,4-PYRIDINEDICARBOXYLIC ACID,3-METHYL ESTERSCHEMBL3560534
Show more names
3-methoxycarbonyl-4-pyridinecarboxylic acid
SCHEMBL30181305DTXSID00356216GTCDOGAERTYZBT-UHFFFAOYSA-N3-(methoxycarbonyl)isonicotinicacidZAA20279AKOS022640752AT17431BS-51545
Database identifiers
- CAS
24202-79-7- PubChem CID
- 820552
- DTXSID
DTXSID00356216- EC Number
- 865-819-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 421.8 · 421.8±30.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 1.07 · 1.07±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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