1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
337957-59-2- Standard SMILES
Cc1ccc(-n2cc(C=O)cn2)cc1- InChIKey
LFWZUGUMUQRWIU-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(4-methylphenyl)pyrazole-4-carbaldehyde
- English name
- 1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
337957-59-21-(4-methylphenyl)-1H-pyrazole-4-carbaldehydeDTXSID30356163RefChem:225461DTXCID403072221-(P-tolyl)-1H-pyrazole-4-carbaldehyde1-p-Tolyl-1H-pyrazole-4-carbaldehyde1-(4-methylphenyl)pyrazole-4-carbaldehydeMFCD03426978SCHEMBL185863881-p-Tolyl-1H-pyrazole-4-carbaldehyde, AldrichCPR1H-Pyrazole-4-carboxaldehyde, 1-(4-methylphenyl)-
Show more names
1-pp-Tolyl-1H-pyrazole-4-carbaldehyde1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)
ALBB-0284381-(p-tolyl)pyrazole-4-carbaldehydeSBB010738AKOS000195020AS-5917p-methylphenyl-1h-pyrazole-4-carbaldehydeSY317221ST50285675
Database identifiers
- CAS
337957-59-2- PubChem CID
- 820137
- DTXSID
DTXSID30356163- EC Number
- 185-911-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- InChI
- 1S/C11H10N2O/c1-9-2-4-11(5-3-9)13-7-10(8-14)6-12-13/h2-8H,1H3
- InChIKey
- LFWZUGUMUQRWIU-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)-n2cc(C=O)cn2
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 2933199090 · 2933199090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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