Basic information
- CAS
306935-28-4- Standard SMILES
Cc1nn(Cc2ccc(C(=O)O)o2)c(C)c1Br- InChIKey
TXZIGOBIIZTCGA-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O3
- Average molar mass
- 299.12 g/mol
- Monoisotopic mass
- 297.9953
Names & identifiers
- Preferred name
- 5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic acid
- IUPAC
- 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
- English name
- 5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-2-FUROIC ACID
- Molecular formula
- C11H11BrN2O3
- Molecular weight
- 299.12
Names & synonyms
306935-28-45-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic acid5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furancarboxylic acidRefChem:2991125-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxylic acid5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acidMFCD002093092-Furancarboxylic acid, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-Maybridge1_004951Oprea1_028819
Show more names
AKOS B000221AKOS PAO-0025BUTTPARK 94\04-96ART-CHEM-BB B0002215-[4-(BROMO-3,5-DIMETHYLPYRAZOL-1-YL)METHYL]-2-FUROIC ACID5-(4-BROMO-3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID2-Furancarboxylic acid,5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-Bromo-1-[(5-carboxyfur-2-yl)methyl]-3,5-dimethyl-1H-pyrazole, 5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Boiling point
- 465 · 465.0±45.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.10(Predicted)
- CAS DataBase Reference
- 306935 · 306935-28-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P301+P330+P331-P303+P361+P353
- Hazard Codes
- C
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Corrosive
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Precautionary statements
- P280-P301+P330+P331-P303+P361+P353
Chemistry & industry
Suppliers7 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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