Basic information
- CAS
1796-83-4- Standard SMILES
COC(=O)c1ccncc1C(=O)OC- InChIKey
AUQUSBAFIHOGHK-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- Dimethyl 3,4-pyridinedicarboxylate
- IUPAC
- dimethyl pyridine-3,4-dicarboxylate
- English name
- 3,4-Pyridinedicarboxylic acid dimethyl ester
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
1796-83-4Dimethyl 3,4-pyridinedicarboxylate3,4-Pyridinedicarboxylic acid, 3,4-dimethyl esterCinchomeronic acid, dimethyl esterUNII-0B88VPP2OQ0B88VPP2OQ3,4-Pyridinedicarboxylic acid, dimethyl esterCinchomeronic acid dimethyl ester [MI]Cinchomeronic acid dimethyl esterDTXSID00170838RefChem:134207DTXCID7093329
Show more names
pyridine-3,4-dicarboxylic acid dimethyl ester
663-299-2AUQUSBAFIHOGHK-UHFFFAOYSA-Ndimethyl pyridine-3,4-dicarboxylate3,4-dimethyl pyridine-3,4-dicarboxylateMFCD001602933,4-Pyridinedicarboxylic acid dimethyl esterDimethylpyridine-3,4-dicarboxylateSCHEMBL68952
Database identifiers
- CAS
1796-83-4- PubChem CID
- 596231
- DTXSID
DTXSID00170838- UNII
- 0B88VPP2OQ
- EC Number
- 663-299-2
- Nikkaji
- J117.525D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 140 °C · 140 °C(Press: 0.01 Torr)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.08 · 1.08±0.18(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 0 B88VPP2OQ · 0B88VPP2OQ
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933399990 · 2933399990
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers57 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
天津英伦科技有限公司010-010-1234567 17526513758 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.
Related reactions
1 records
Compound notes
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