6-Nitro-1-hexene
Basic information
- CAS
4812-17-3- Standard SMILES
C=CCCCC[N+](=O)[O-]- InChIKey
BIYYQEVGNGBZAK-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 6-Nitro-1-hexene
- IUPAC
- 6-nitrohex-1-ene
- English name
- 6-Nitro-1-hexene, 97
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
6-Nitro-1-hexene4812-17-31-Hexene, 6-nitro-DTXSID80336556RefChem:105079DTXCID30287645684-528-2BIYYQEVGNGBZAK-UHFFFAOYSA-N6-nitrohex-1-ene6-NITRO-1-HEXENE, 97SCHEMBL816964SCHEMBL6157087
Show more names
1-Nitro-5-hexene
MFCD00209606AKOS006227672SY266523DB-253559ST51038343
Database identifiers
- CAS
4812-17-3- PubChem CID
- 534565
- DTXSID
DTXSID80336556- EC Number
- 684-528-2
- Nikkaji
- J119.692H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.7
Physicochemical properties
- Boiling point
- 195 °C · 195 °C(lit.)
- Density
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 165 °F · 165 °F
- pka
- 8.63 · 8.63±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H312-H335-H302-H332-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 38 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. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H319-H312-H335-H302-H332-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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