1H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)-4-iodo-5-methyl-
Basic information
- CAS
1354704-36-1- Standard SMILES
Cc1c(I)c(C(=O)O)nn1C(F)F- InChIKey
KIVNZLQJJVOXQU-UHFFFAOYSA-N- Molecular formula
- C6H5F2IN2O2
- Average molar mass
- 302.02 g/mol
- Monoisotopic mass
- 301.93638
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)-4-iodo-5-methyl-
- IUPAC
- 1-(difluoromethyl)-4-iodo-5-methylpyrazole-3-carboxylic acid
Names & synonyms
1354704-36-11-(Difluoromethyl)-4-iodo-5-methyl-1H-pyrazole-3-carboxylic acidDTXSID3011640961H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)-4-iodo-5-methyl-RefChem:438989DTXCID901595546847-237-3MFCD245396151-(difluoromethyl)-4-iodo-5-methylpyrazole-3-carboxylic acid1-(Difluoromethyl)-4-iodo-5-methyl-1H-pyrazole-3-carboxylicacid1-(difluoromethyl)-4-iodo-5-methyl-pyrazole-3-carboxylic acidEEC70436
Show more names
SBB074134AKOS015920972SB85595EN300-651375G59023
Database identifiers
- CAS
1354704-36-1- PubChem CID
- 60136746
- DTXSID
DTXSID301164096- EC Number
- 847-237-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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