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Basic information
- CAS
27241-31-2- Standard SMILES
Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1- InChIKey
XZRWLJLWXBCCLD-UHFFFAOYSA-N- Molecular formula
- C9H6Cl3N3O
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 276.957645
Names & identifiers
- Preferred name
- 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one
- IUPAC
- 5-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one
- English name
- 1-(2,4,6-Trichlorophenyl)-3-amino-pyrazolin-5-one
- Molecular formula
- C9H6Cl3N3O
- Molecular weight
- 278.52
Names & synonyms
5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one5-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one1049677-31-7SCHEMBL8170428XZRWLJLWXBCCLD-UHFFFAOYSA-NNS00049168TIMTEC-BB SBB0030271-(2,4,6-TRICHLOROPHENYL)3-AMINO-5-PYRAZOLONE3-AMINO-1-(2,4,6-TRICHLOROPHENYL)-5-PYRAZOLONE1-(2,4,6-Trichlorophenyl)-3-amino-5-pyrazolidone3-amino-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-o1-(2,4,6-Trichlorophenyl)-3-amino-pyrazolin-5-one
Show more names
5-amino-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one1-(2,4,6-Trichlorophenyl)-3-amino-5(4H)-pyrazolone3-Amino-1-(2,4,6-trichlorophenyl)-5-pyrazolone,97%3-AMINO-1-(2,4,6-TRICHLOROPHENYL)-2-PYRAZOLIN-5-ONE
Database identifiers
- CAS
27241-31-2- PubChem CID
- 97295
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 218 °C · 218 °C (dec.)(lit.)
- Boiling point
- 411.5 · 411.5±55.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 1.79 · 1.79±0.50(Predicted)
- CAS DataBase Reference
- 27241 · 27241-31-2(CAS DataBase Reference)
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(2,4,6-trichlorophenyl)- (27241-31-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
曼奈科（上海）贸易有限公司021-32503616 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.
Related reactions
1 records
Compound notes
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