Basic information
- CAS
89-26-9- Standard SMILES
Nc1cccc(N2N=C(C(=O)O)CC2=O)c1- InChIKey
SWHUGXBRBHHKFB-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-
- IUPAC
- 1-(3-aminophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
- English name
- 1-(3-aminophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C10H9N3O3
- Molecular weight
- 219.2
Names & synonyms
89-26-91H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-1-(3-Aminophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid1-(m-Aminophenyl)-5-oxo-2-pyrazoline-3-carboxylic acidNSC 4987EINECS 201-892-61-(meta-Aminophenyl)-5-oxo-2-pyrazoline-3-carboxylic acid2-Pyrazoline-3-carboxylic acid, 1-(m-aminophenyl)-5-oxo-DTXSID0058982RefChem:79925DTXCID80486502-Pyrazoline-3-carboxylic acid, 1-(m-aminophenyl)-5-oxo-(8CI)
Show more names
201-892-61-(3-aminophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid1-(3-aminophenyl)-5-oxo-4H-pyrazole-3-carboxylic acidMFCD000438127D7DY8T7W6NSC-49871H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-1-(3-aminophenyl)-5-oxo-2-pyrazoline-3-carboxylic acid
Database identifiers
- CAS
89-26-9- PubChem CID
- 66632
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- form
- solid
- InChI
- 1S/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)
- InChIKey
- SWHUGXBRBHHKFB-UHFFFAOYSA-N
- SMILES
- Nc1cccc(c1)N2N=C(CC2=O)C(O)=O
- FDA UNII
- 7 D7DY8T7W6 · 7D7DY8T7W6
- EPA Substance Registry System
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo- (89-26-9)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317
- Precautionary statements
- 261 · P261-P264-P270-P280-P301+P310-P302+P352
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HS Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H317
- Hazard Classifications
- Acute Tox. 3 OralSkin Sens. 1
- Precautionary statements
- P261-P264-P270-P280-P301+P310-P302+P352
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-: INACTIVE
Suppliers9 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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