Basic information
- CAS
20200-64-0- Standard SMILES
CN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2- InChIKey
WOHKZAFFWQFDQP-UHFFFAOYSA-N- Molecular formula
- C19H17N3O5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.11682065
Names & identifiers
- Preferred name
- Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro-
- IUPAC
- 1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indole]
- English name
- 1',3'-Dihydro-1',3',3'-trimethyl-6,8-dinitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
- Molecular formula
- C19H17N3O5
- Molecular weight
- 367.36
Names & synonyms
NSC 206177Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro-DTXSID30885120Spiro(2H-1-benzopyran-2,2'-(2H)indole), 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro-RefChem:888803DTXCID70102451920200-64-01',3',3'-trimethyl-6,8-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole]1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indole]NSC206177Oprea1_012164Oprea1_124488
Show more names
1',3'-Dihydro-1',3',3'-trimethyl-6,8-dinitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
SCHEMBL55732711',3',3'-Trimethyl-6,8-dinitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]WOHKZAFFWQFDQP-UHFFFAOYSA-N1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indoline]STL304625AKOS000513775AKOS021983627NSC-206177
Database identifiers
- CAS
20200-64-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Melting point
- 280 · 280-283 °C
- Boiling point
- 520.4 · 520.4±50.0 °C(predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 2.21 · 2.21±0.40(predicted)
- EPA Substance Registry System
- 2 H-1-benzopyran-2,2'-[2H]indole], · Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro- (20200-64-0)
- 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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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