CAS 241799-33-7 1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid (HCID 4423672)

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Basic information

CAS: 241799-33-7
Standard SMILES: Cc1c(C(=O)O)cnn1-c1cccc(Cl)c1
InChIKey: KGGIPUUYWUXTSR-UHFFFAOYSA-N
Molecular formula: C11H9ClN2O2
Average molar mass: 236.65 g/mol
Monoisotopic mass: 236.0352552

Names & identifiers

Preferred name: 1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 1-(3-chlorophenyl)-5-methylpyrazole-4-carboxylic acid
English name: 1-(3-Chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
Molecular formula: C11H9ClN2O2
Molecular weight: 236.65

Names & synonyms

1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid241799-33-7DTXSID40403137RefChem:224332DTXCID903539911-(3-chlorophenyl)-5-methylpyrazole-4-carboxylic acidMFCD04122759SCHEMBL60524351-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxylic AcidKGGIPUUYWUXTSR-UHFFFAOYSA-NAKOS000189050DA-31202

Show more names

SALOR-INT L317683-1EA1H-Pyrazole-4-carboxylic acid, 1-(3-chlorophenyl)-5-methyl-

SY169204CS-0215963EN300-31550G224855-methyl-1-(3-chlorophenyl)pyrazole-4-carboxylic acidZ3160876021-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylicacid

Database identifiers

CAS: 241799-33-7
PubChem CID: 4423672
DTXSID: DTXSID40403137
EC Number: 979-094-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 275

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501