Basic information
- CAS
436086-91-8- Standard SMILES
COc1ccc(C=O)cc1Cn1nc(C)cc1C- InChIKey
XEUFDSHRBLJIJK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 3-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
- IUPAC
- 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
- English name
- 3-(3,5-Dimethyl-pyrazol-1-ylmethyl)-4-methoxy-benzaldehyde
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
436086-91-83-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehydeDTXSID703517383-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzaldehydeRefChem:496492DTXCID50302804994-490-13-(3,5-Dimethyl-pyrazol-1-ylmethyl)-4-methoxy-benzaldehyde3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehydeMFCD011149253-[(3,5-dimethylpyrazolyl)methyl]-4-methoxybenzaldehydeOprea1_629680
Show more names
ZINC00096556AKOS B006383BAS 05017184AKOS PAO-0100ART-CHEM-BB B006383TIMTEC-BB SBB0008413-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxybenzaldehyde
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-benzaldehydeALBB-000210BBL009230SBB000841STK289686AKOS000266187ST036724VS-02032
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
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
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [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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