2-Methyl-2-nitrotridecane
Basic information
- CAS
76173-38-1- Standard SMILES
CCCCCCCCCCCC(C)(C)[N+](=O)[O-]- InChIKey
BBWXXIOZKWWNQT-UHFFFAOYSA-N- Molecular formula
- C14H29NO2
- Average molar mass
- 243.39 g/mol
- Monoisotopic mass
- 243.21982917
Names & identifiers
- Preferred name
- 2-Methyl-2-nitrotridecane
- IUPAC
- 2-methyl-2-nitrotridecane
- English name
- 2-methyl-2-nitrotridecane
- Molecular formula
- C14H29NO2
- Molecular weight
- 243.38556
Names & synonyms
2-methyl-2-nitrotridecaneRefChem:47517276173-38-1659-729-3AKOS024340608
Database identifiers
- CAS
76173-38-1- PubChem CID
- 4640558
- EC Number
- 659-729-3
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H413-H301
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H317-H413-H301
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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