7-Nitro-1-tetralone
Basic information
- CAS
40353-34-2- Standard SMILES
O=C1CCCc2ccc([N+](=O)[O-])cc21- InChIKey
GWAQYWSNCVEJMW-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- 7-Nitro-1-tetralone
- IUPAC
- 7-nitro-3,4-dihydro-2H-naphthalen-1-one
- English name
- 7-Nitro-1-tetralone
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
7-Nitro-1-tetralone40353-34-21(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-NITRO-EINECS 254-887-6NSC 184729BRN 15705153-07-00-01423 (Beilstein Handbook Reference)DTXSID00193345RefChem:106411DTXCID10115836GWAQYWSNCVEJMW-UHFFFAOYSA-N7-nitro-3,4-dihydronaphthalen-1(2H)-one
Show more names
7-NITRO-3,4-DIHYDR7-NITROTETRA-1-LONE7-nitro-1-tetrralone7-Nitrotetralin-1-one7-Nitrotetra-1-lone 98%7-Nitro-1-tetralone,97%3,4-dihydro-7-nitro-1(2h)-naphthalenon
7-Nitrotetralone7-nitro-3,4-dihydro-2H-naphthalen-1-oneMFCD000196613,4-Dihydro-7-nitro-1(2H)-naphthalenone7-nitro-1,2,3,4-tetrahydronaphthalen-1-one7-nitro 1-tetraloneSY004799WLN: L66 BVT&J INW
Database identifiers
- CAS
40353-34-2- PubChem CID
- 38445
- DTXSID
DTXSID00193345- EC Number
- 254-887-6
- Nikkaji
- J54.254G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 108 · 108-109°C
- Boiling point
- 349.1 · 349.1±31.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- BRN
- 1570515 · 1570515
- InChI
- 1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2
- InChIKey
- GWAQYWSNCVEJMW-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc2CCCC(=O)c2c1
- CAS DataBase Reference
- 40353 · 40353-34-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 · 1(2H)-naphthalenone, 3,4-dihydro-7-nitro-(40353-34-2)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
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
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- wgk
- WGK 3
- rtecs
- QK5025000
- hs_code
- 2914790090
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00954,
- risk_code
- 22-52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
95 records
Compound notes
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