Basic information
- CAS
1354705-26-2- Standard SMILES
CCn1nc(C(=O)O)c(I)c1C- InChIKey
GCGRVEYXRKGTEH-UHFFFAOYSA-N- Molecular formula
- C7H9IN2O2
- Average molar mass
- 280.06 g/mol
- Monoisotopic mass
- 279.97088
Names & identifiers
- Preferred name
- 1-ethyl-4-iodo-5-methyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-ethyl-4-iodo-5-methylpyrazole-3-carboxylic acid
- English name
- 1-Ethyl-4-iodo-5-methyl-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C7H9IN2O2
- Molecular weight
- 280.06
Names & synonyms
1-Ethyl-4-iodo-5-methyl-1H-pyrazole-3-carboxylic acid1354705-26-2RefChem:432539844-293-0MFCD221926961-ethyl-4-iodo-5-methylpyrazole-3-carboxylic acid1-Ethyl-4-iodo-5-methyl-1H-pyrazole-3-carboxylicacidEEC70526SBB074083AKOS015920913SY522414CS-0256735
Show more names
1H-Pyrazole-3-carboxylic acid, 1-ethyl-4-iodo-5-methyl-
EN300-651330Z1618140459
Database identifiers
- CAS
1354705-26-2- PubChem CID
- 60136699
- EC Number
- 844-293-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 363.6 · 363.6±42.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- pka
- 2.78 · 2.78±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- 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
- H335-H302-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
上海安米克化学品有限公司微信：18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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