Basic information
- CAS
30926-22-8- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1- InChIKey
RCYTWTBFGNSMQC-UHFFFAOYSA-N- Molecular formula
- C17H14N4O3
- Average molar mass
- 322.32 g/mol
- Monoisotopic mass
- 322.10659032
Names & identifiers
- Preferred name
- 4-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoic acid
- IUPAC
- 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
- English name
- 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
- Molecular formula
- C17H14N4O3
- Molecular weight
- 322.32
Names & synonyms
4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]BENZOIC ACIDDTXSID908854894-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoic acidBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-Benzoic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-RefChem:509253DTXCID401024865250-392-430926-22-8Benzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-BRN 0895994
Show more names
4-[(3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo]benzoic acid
EINECS 250-392-44-((3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YL)DIAZENYL)BENZOIC ACID4-[(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid1-Phenyl-3-methyl-4-(2-carboxyphenylazo)-5(4H)-pyrazolonep-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acidRCYTWTBFGNSMQC-UHFFFAOYSA-NRCYTWTBFGNSMQC-VHEBQXMUSA-NSTK382958
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]- (30926-22-8)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 400 · H400-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
- TSCA
- TSCA listed
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H400-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-: ACTIVE
Suppliers1 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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