Basic information
- CAS
107430-44-4- Standard SMILES
CC1=NN(c2ccc(N)cc2)C(=O)C1.Cl.Cl- InChIKey
TZPZAAVVXPBCJE-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2N3O
- Average molar mass
- 262.13 g/mol
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride
- IUPAC
- 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;dihydrochloride
- English name
- 2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride
- Molecular formula
- C10H13Cl2N3O
- Molecular weight
- 262.13572
Names & synonyms
2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochlorideRefChem:456700801-170-6305382-85-8107430-44-41-(4-Aminophenyl)-3-methyl-1H-pyrazol-5(4H)-one dihydrochlorideMFCD131863422-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;dihydrochloride2-(4-Amino-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one dihydrochlorideMNT55U5E8XSCHEMBL8625650TZPZAAVVXPBCJE-UHFFFAOYSA-N
Show more names
AKOS027385639F0309231-(4-aminophenyl)-3-methyl-2-pyrazolin-5-one dihydrochloride1-(4-Aminophenyl)-3-methyl-1H-pyrazol-5(4H)-onedihydrochloride2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one 2HCl2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one diHCl3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, dihydrochloride3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, hydrochloride (1:2)
Database identifiers
- CAS
107430-44-4、305382-85-8- PubChem CID
- 12554351
- UNII
- MNT55U5E8X
- EC Number
- 801-170-6
Properties
Computed structural properties
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 196 · 196-200 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 501 · P501-P261-P272-P270-P264-P280-P302+P352-P362+P364-P333+P313-P301+P312+P330
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H317
- Precautionary statements
- P501-P261-P272-P270-P264-P280-P302+P352-P362+P364-P333+P313-P301+P312+P330
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Related reactions
2 records
Compound notes
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