2-Methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
Basic information
- CAS
149771-24-4- Standard SMILES
Cc1ncc(C(=O)O)c(C(F)(F)F)n1- InChIKey
BECLGVAKEOAIAW-UHFFFAOYSA-N- Molecular formula
- C7H5F3N2O2
- Average molar mass
- 206.12 g/mol
- Monoisotopic mass
- 206.03031189
Names & identifiers
- Preferred name
- 2-Methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
- IUPAC
- 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
- English name
- 2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid
- Molecular formula
- C7H5F3N2O2
- Molecular weight
- 206.12
Names & synonyms
149771-24-42-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic AcidDTXSID30435644RefChem:263407DTXCID80386470973-357-12-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acidMFCD064090055-Pyrimidinecarboxylic acid, 2-methyl-4-(trifluoromethyl)-2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylicacidSCHEMBL2118779AKOS000302365
Show more names
2-methyl-4-trifluoromethyl pyrimidine-5-formic acid2-Methyl-4-(trifluoromethyl)pyrimidine-5-carboxylicaci2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid ,97%2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid ISO 9001：2015 REACH
SB60577AS-70723SY065980DB-063832CS-0186666A51179EN300-104010F626463
Database identifiers
- CAS
149771-24-4- PubChem CID
- 10104416
- DTXSID
DTXSID30435644- EC Number
- 973-357-1
- Nikkaji
- J528.934C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 211 °C · >211 °C (decomp)
- Boiling point
- 280.6 · 280.6±40.0 °C(Predicted)
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.96 · 1.96±0.36(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Risk Statements
- 20 · 20/22
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29335990
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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