Basic information
- CAS
618444-06-7- Standard SMILES
COC(=O)c1nn(-c2ccccc2C(C)C)c(I)c1C(=O)OC- InChIKey
YYLAKKYTXHIWAR-UHFFFAOYSA-N- Molecular formula
- C16H17IN2O4
- Average molar mass
- 428.22 g/mol
- Monoisotopic mass
- 428.0233
Names & identifiers
- Preferred name
- Dimethyl 5-iodo-1-(2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate
- IUPAC
- dimethyl 5-iodo-1-(2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate
- English name
- SALOR-INT L449490-1EA
- Molecular formula
- C16H17IN2O4
- Molecular weight
- 428.22
Names & synonyms
Dimethyl 5-iodo-1-(2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate618444-06-7RefChem:588231644-904-9AKOS024416456SALOR-INT L449490-1EA
Database identifiers
- CAS
618444-06-7- PubChem CID
- 4989986
- EC Number
- 644-904-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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