5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1140-38-1- Standard SMILES
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O- InChIKey
UTAROPFLQDDMNS-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylic acid
- English name
- 5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid1140-38-1DTXSID00356998RefChem:302516DTXCID403080575-chloro-3-methyl-1-phenylpyrazole-4-carboxylic acidMFCD005485071H-Pyrazole-4-carboxylic acid, 5-chloro-3-methyl-1-phenyl-F1901-0132SCHEMBL6681735SMSSF-0044185ALBB-023730
Show more names
5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-carboxylic acid1H-Pyrazole-4-carboxylicacid, 5-chloro-3-Methyl-1-phenyl-
SBB071735STK735143AKOS000122929SY132116VS-08947ST45026916EN300-06530E79011
Database identifiers
- CAS
1140-38-1- PubChem CID
- 839949
- DTXSID
DTXSID00356998- EC Number
- 997-933-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
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%)
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Compound notes
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