5-Nitroindan
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Basic information
- CAS
7436-07-9- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CCC2- InChIKey
DLURUQQMVLOLCP-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 5-Nitroindan
- IUPAC
- 5-nitro-2,3-dihydro-1H-indene
- English name
- 4(5)-NITROINDAN
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
5-NitroindanDTXSID90225361EINECS 231-088-0NSC 76672RefChem:537439DTXCID90147852231-088-05-Nitroindane7436-07-95-nitro-2,3-dihydro-1H-indene4(5)-NitroindanIndan, 5-nitro-
Show more names
5-Nitriindane5-Nitroindan,99%
5-Nitro-indanMFCD000038011H-Indene, 2,3-dihydro-5-nitro-NSC-766722,3-Dihydro-5-nitro-1H-indene5-Nitroindan; 5-Nitroindane; beta-Nitroindanbeta-Nitroindan.beta.-Nitroindan
Database identifiers
- CAS
7436-07-9- PubChem CID
- 81940
- DTXSID
DTXSID90225361- UNII
- VZ6V7FD442
- EC Number
- 231-088-0
- Nikkaji
- J245C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 40.25 °C · 40.25°C
- Boiling point
- 290.25 °C · 290.25°C (rough estimate)
- Density
- 1.2021 · 1.2021 (rough estimate)
- refractive index
- 1.546 · 1.5460 (estimate)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- HS Code
- 2904200090 · 2904200090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.
Safety data
- hs_code
- 2904200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P261-P271-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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