Basic information
- CAS
18088-10-3- Standard SMILES
Cc1cc(C)nc(C(=O)O)c1- InChIKey
DYOKWPWMTZHTPS-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 4,6-Dimethylpicolinic acid
- IUPAC
- 4,6-dimethylpyridine-2-carboxylic acid
- English name
- 2-Pyridinecarboxylicacid,4,6-dimethyl-(9CI)
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
4,6-Dimethylpicolinic acid18088-10-3DTXSID90351210RefChem:285940DTXCID40302277961-197-54,6-dimethylpyridine-2-carboxylic AcidMFCD041138262-PYRIDINECARBOXYLIC ACID, 4,6-DIMETHYL-2-Pyridinecarboxylicacid,4,6-dimethyl-(9CI)2-Pyridinecarboxylicacid, 4,6-dimethyl-4,6-DIMETHYL-2-PYRIDINECARBOXYLIC ACID
Show more names
2-PYRIDINECARBOXYLICACID4,6-DIMETHYL-
4,6-Dimethylpicolinicacid46-Dimethylpicolinic acidSCHEMBL668136DYOKWPWMTZHTPS-UHFFFAOYSA-NSBB016185AKOS000273262AB17859FS-3452
Database identifiers
- CAS
18088-10-3- PubChem CID
- 693295
- DTXSID
DTXSID90351210- EC Number
- 961-197-5
- Nikkaji
- J149.549F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 301.6 · 301.6±37.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.21 · 1.21±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers35 total
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Related reactions
10 records
Compound notes
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