Basic information
- CAS
2602-36-0- Standard SMILES
Cc1nc(C)c(C(=O)O)cc1C(=O)O- InChIKey
WQFXJSOUBPGBGW-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 2,6-Dimethylpyridine-3,5-dicarboxylic acid
- IUPAC
- 2,6-dimethylpyridine-3,5-dicarboxylic acid
- English name
- 2,6-Dimethyl-3,5-pyridinedicarboxylic acid
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
2,6-dimethylpyridine-3,5-dicarboxylic acidRefChem:445753623-212-02602-36-03,5-Pyridinedicarboxylic acid, 2,6-dimethyl-2,6-Dimethyl-3,5-pyridinedicarboxylic acidMFCD00023507ChemDiv2_0032722,6-Dimethyl-3,5-pyridinedinedicarboxylic acidOprea1_499457SCHEMBL70795DTXSID80304432
Show more names
WQFXJSOUBPGBGW-UHFFFAOYSA-NHMS1378E16CAA60236BBL034680NSC165776STL426670AKOS001580915CCG-202846
Database identifiers
- CAS
2602-36-0- PubChem CID
- 296010
- DTXSID
DTXSID80304432- EC Number
- 623-212-0
- Nikkaji
- J591.361F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 433.1 · 433.1±45.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.47 · 1.47±0.25(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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)
Aggregated GHS information provided per 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers15 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]
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]
郑州汇聚化工有限公司13393710386 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [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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