5,7-Dinitro-1,2,3,4-tetrahydro-naphthalene
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Basic information
- CAS
51522-30-6- Standard SMILES
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)CCCC2- InChIKey
XYARKBJAQYVUJO-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- 5,7-Dinitro-1,2,3,4-tetrahydro-naphthalene
- IUPAC
- 5,7-dinitro-1,2,3,4-tetrahydronaphthalene
- English name
- 5,7-dinitro-1,2,3,4-tetrahydronaphthalene
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.1974
Names & synonyms
51522-30-6RefChem:5282985,7-Dinitro-1,2,3,4-tetrahydro-naphthalene103-041-35,7-dinitro-1,2,3,4-tetrahydronaphthaleneMFCD014641185,7-dinitrotetralinOprea1_166193SCHEMBL2594851SCHEMBL30503600XYARKBJAQYVUJO-UHFFFAOYSA-NBBL002830
Show more names
STK378389AKOS005448467SY408689VS-01238DB-123771CS-0360650ST50561943G89703
Database identifiers
- CAS
51522-30-6- PubChem CID
- 3427329
- EC Number
- 103-041-3
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P264, P270, P301+P316, P321, P330, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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