2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
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Basic information
- CAS
149771-23-3- Standard SMILES
Nc1ncc(C(=O)O)c(C(F)(F)F)n1- InChIKey
MBDZXCJGXZAHMC-UHFFFAOYSA-N- Molecular formula
- C6H4F3N3O2
- Average molar mass
- 207.11 g/mol
- Monoisotopic mass
- 207.02556087
Names & identifiers
- Preferred name
- 2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
- IUPAC
- 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
- English name
- 5-Pyrimidinecarboxylicacid,2-amino-4-(trifluoromethyl)-(9CI)
- Molecular formula
- C6H4F3N3O2
- Molecular weight
- 207.11
Names & synonyms
149771-23-32-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic AcidDTXSID00395968RefChem:255526DTXCID30346827958-983-52-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-MFCD041261315-Pyrimidinecarboxylicacid,2-amino-4-(trifluoromethyl)-(9CI)2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylicacid2-Amino-4-trifluoromethyl-pyrimidine-5-carboxylic acid
Show more names
2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylicaci5-Pyrimidinecarboxylicacid,2-amino-4-(trifluoromethyl)-(9CI) USP/EP/BP
5-Pyrimidinecarboxylicacid, 2-amino-4-(trifluoromethyl)-2-amino-4-trifluoromethylpyrimidine-5-carboxylic acidSCHEMBL4888133YQF3540AKOS005102422SB58209DB-063831CS-0309012
Database identifiers
- CAS
149771-23-3- PubChem CID
- 3754696
- DTXSID
DTXSID00395968- EC Number
- 958-983-5
- Nikkaji
- J528.933E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 416.5 · 416.5±55.0 °C(Predicted)
- Density
- 1.667 · 1.667±0.06 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Risk Statements
- 20 · 20/21/22-37/38-48
- Safety Statements
- 7 · 7/8-22-26-36/37/39-45
- 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
- 20/21/22-37/38-48
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 7/8-22-26-36/37/39-45
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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