Basic information
- CAS
3156-39-6- Standard SMILES
O=[N+]([O-])/C=C/c1ccccc1[N+](=O)[O-]- InChIKey
INIQBBVYBCGEIX-AATRIKPKSA-N- Molecular formula
- C8H6N2O4
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.03275668
Names & identifiers
- Preferred name
- beta,2-Dinitrostyrene
- IUPAC
- 1-nitro-2-[(E)-2-nitroethenyl]benzene
- English name
- BETA,2-DINITROSTYRENE
- Molecular formula
- C8H6N2O4
- Molecular weight
- 194.14
Names & synonyms
5670-67-7RefChem:567070621-640-2beta,2-Dinitrostyrene3156-39-61-nitro-2-(2-nitrovinyl)benzene1-Nitro-2-[(E)-2-nitroethenyl]benzene2,Beta-dinitrostyrene1-nitro-2-[(E)-2-nitrovinyl]benzene2-Nitro-1-(2-nitrophenyl)etheneMFCD00052066benzene, 1-nitro-2-[(E)-2-nitroethenyl]-
Show more names
ST5437233ZINC02169230Maybridge1_006908á,2-dinitrostyreneBUTTPARK 121\06-28SS,2-DINITROSTYRENE2-nitro-á-nitrostyrene~,2-Dinitrostyrene,97%
2-nitro-B-nitrostyrene2-Nitro-omega-nitrostyrene1-nitro-2-[(1E)-2-nitroethenyl]benzenebeta,2-Dinitrostyrene, 99%SCHEMBL4361353HMS561B22DTXSID80879317INIQBBVYBCGEIX-AATRIKPKSA-N
Database identifiers
- CAS
3156-39-6、5670-67-7- PubChem CID
- 5368705
- DTXSID
DTXSID80879317- EC Number
- 621-640-2
- Nikkaji
- J1.313.912A、J387.718C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
LogP1.8
Physicochemical properties
- Melting point
- 106 · 106-108 °C(lit.)
- Boiling point
- 356.6 · 356.6±25.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- BRN
- 1964093 · 1964093
- CAS DataBase Reference
- 3156 · 3156-39-6
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 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
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2904200090
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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