5-Methyl-1-nitronaphthalene
Basic information
- CAS
91137-27-8- Standard SMILES
Cc1cccc2c([N+](=O)[O-])cccc12- InChIKey
AOSRALZFDNFXFZ-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 5-Methyl-1-nitronaphthalene
- IUPAC
- 1-methyl-5-nitronaphthalene
- English name
- 1-Methyl-5-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
1-Methyl-5-nitronaphthaleneCCRIS 77575-Methyl-1-nitronaphthalene1EQU0EI050UNII-1EQU0EI050Naphthalene, 1-methyl-5-nitro-DTXSID80238420RefChem:198946DTXCID0016091191137-27-81-Methyl-5-nitro-naphthaleneSCHEMBL5728844
Show more names
1-Methyl-5-nitronaphthalene in methanol
SCHEMBL5728848STK058399AKOS005387091DB-216173AG-690/12091253
Database identifiers
- CAS
91137-27-8- PubChem CID
- 93496
- DTXSID
DTXSID80238420- UNII
- 1EQU0EI050
- EC Number
- 809-558-7
- Nikkaji
- J351.232K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 82 · 82-83 °C
- Boiling point
- 324.6 · 324.6±11.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 5 · 5.0×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- FDA UNII
- 1 EQU0EI050 · 1EQU0EI050
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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