Basic information
- CAS
72411-88-2- Standard SMILES
COc1nc(C)ncc1C(=O)O- InChIKey
BZKLIDDLMRGFMZ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 4-Methoxy-2-methylpyrimidine-5-carboxylic acid
- IUPAC
- 4-methoxy-2-methylpyrimidine-5-carboxylic acid
- English name
- 4-methoxy-2-methylpyrimidine-5-carboxylic acid
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15002
Names & synonyms
4-methoxy-2-methylpyrimidine-5-carboxylic acid72411-88-2RefChem:524548820-694-6SCHEMBL20524652XCA41188AKOS022637531AT183924-methoxy-2-methylpyrimidine-5-carboxylicacidEN300-262930Z1255364039
Database identifiers
- CAS
72411-88-2- PubChem CID
- 12828958
- EC Number
- 820-694-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
天津艾宇萱医药科技有限公司13312134804 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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