9-CL-5-ME-5(4-Nitro-PH)2(2-thienyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
332062-69-8- Standard SMILES
CC1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2C2CC(c3cccs3)=NN21- InChIKey
YEKGZQDEYZKFOY-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O3S
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.0600902
Names & identifiers
- Preferred name
- 9-CL-5-ME-5(4-Nitro-PH)2(2-thienyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 9-chloro-5-methyl-5-(4-nitrophenyl)-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- English name
- SALOR-INT L211206-1EA
- Molecular formula
- C21H16ClN3O3S
- Molecular weight
- 425.89
Names & synonyms
332062-69-89-CL-5-ME-5(4-NITRO-PH)2(2-THIENYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINERefChem:549332632-330-1SALOR-INT L211206-1EA9-Chloro-5-methyl-5-(4-nitrophenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTK885280AKOS0056356649-chloro-5-methyl-5-(4-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazineAG-690/124094169-chloro-5-{4-nitrophenyl}-5-methyl-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 9-chloro-1,10b-dihydro-5-methyl-5-(4-nitrophenyl)-2-(2-thienyl)-
Database identifiers
- CAS
332062-69-8- PubChem CID
- 4248922
- EC Number
- 632-330-1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- Boiling point
- 580.6 · 580.6±60.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 2.83 · 2.83±0.40(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H319-H301-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H335-H319-H301-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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