1H-Pyrazole-3-carboxylic acid, 1-cyclopentyl-4-iodo-
Basic information
- CAS
1354706-69-6- Standard SMILES
O=C(O)c1nn(C2CCCC2)cc1I- InChIKey
JXEQPAKHKOUHCX-UHFFFAOYSA-N- Molecular formula
- C9H11IN2O2
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.98653
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 1-cyclopentyl-4-iodo-
- IUPAC
- 1-cyclopentyl-4-iodopyrazole-3-carboxylic acid
- English name
- 1-cyclopentyl-4-iodo-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C9H11IN2O2
- Molecular weight
- 306.1
Names & synonyms
1-cyclopentyl-4-iodo-1H-pyrazole-3-carboxylic acid1354706-69-6DTXSID7012171581H-Pyrazole-3-carboxylic acid, 1-cyclopentyl-4-iodo-RefChem:438992DTXCID601648483847-248-3MFCD245396201-cyclopentyl-4-iodopyrazole-3-carboxylic acid1-cyclopentyl-4-iodo-1H-pyrazole-3-carboxylicacidEEC70669SBB074139
Show more names
STL415391AKOS015920954CS-0241428EN300-2327881-cyclopentyl-4-iodo-pyrazole-3-carboxylic acid
Database identifiers
- CAS
1354706-69-6- PubChem CID
- 60136751
- DTXSID
DTXSID701217158- EC Number
- 847-248-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 425.9 · 425.9±30.0 °C(Predicted)
- Density
- 2.06 · 2.06±0.1 g/cm3(Predicted)
- pka
- 2.7 · 2.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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