7-Nitro-1,2,3,4-tetrahydroquinoline
Basic information
- CAS
30450-62-5- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)NCCC2- InChIKey
WSWMGHRLUYADNA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422756
Names & identifiers
- Preferred name
- 7-Nitro-1,2,3,4-tetrahydroquinoline
- IUPAC
- 7-nitro-1,2,3,4-tetrahydroquinoline
- English name
- 7-Nitro-1,2,3,4-tetrahydroquinoline
- Molecular formula
- C9H10N2O2
- Molecular weight
- 178.19
Names & synonyms
7-Nitro-1,2,3,4-tetrahydroquinoline30450-62-5DTXSID10291260RefChem:106409DTXCID70206451634-828-41,2,3,4-Tetrahydro-7-nitroquinolineMFCD00496654Quinoline, 1,2,3,4-tetrahydro-7-nitro-7-Nitro-1,2,3,4-tetrahydro-quinolineF2189-01697-Nitro-1,2,3,4-tetrahydro quinoline
Show more names
7-Nitro-17-Nitro-1,2,3,4-Terahydroquinoline7-Nitro-1,2,3,4-tetrahydroquinoline>Quinoline, 1,2,3,4-tetrahydro-7-nitro-7-Nitro-1,2,3,4-tetrahydroquinoline,95%7-NITRO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE7-Nitro-1,2,3,4-tetrahydroquinoline 1,2,3,4-Tetrahydro-7-nitroquinoline
7-nitrotetrahydro-quinolineSCHEMBL395008orb3027267SCHEMBL29581896WSWMGHRLUYADNA-UHFFFAOYSA-NSMSSF-0017934AC-654AKOS005255358
Database identifiers
- CAS
30450-62-5- PubChem CID
- 252513
- DTXSID
DTXSID10291260- EC Number
- 634-828-4
- Nikkaji
- J1.603.547E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 61 to · 61.0 to 65.0 °C
- Boiling point
- 325.2 · 325.2±31.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 3.44 · 3.44±0.20(Predicted)
- form
- Powder
- color
- Red
- InChI
- InChI=1S/C9H10N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2
- InChIKey
- WSWMGHRLUYADNA-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC([N+]([O-])=O)=C2)CCC1
- CAS DataBase Reference
- 30450 · 30450-62-5(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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 (95.1%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933499090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
Uses7-Nitro-1,2,3,4-tetrahydroquinoline is a quinoline compound that can be used as a reagent in chemical reactions or as an intermediate in organic synthesis. It can be used to prepare 7-Aminoquinoline and 7-Nitroquinoline.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
65 records
Compound notes
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