1-Nitro-3-((1E)-2-nitroethenyl)benzene
Basic information
- CAS
34441-47-9- Standard SMILES
O=[N+]([O-])/C=C/c1cccc([N+](=O)[O-])c1- InChIKey
YOEGXQQUPVDQEE-SNAWJCMRSA-N- Molecular formula
- C8H6N2O4
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.03275668
Names & identifiers
- Preferred name
- 1-Nitro-3-((1E)-2-nitroethenyl)benzene
- IUPAC
- 1-nitro-3-[(E)-2-nitroethenyl]benzene
- English name
- BETA,3-DINITROSTYRENE
- Molecular formula
- C8H6N2O4
- Molecular weight
- 194.14
Names & synonyms
34441-47-9RefChem:10560991-Nitro-3-((1E)-2-nitroethenyl)benzene882-26-81-nitro-3-(2-nitrovinyl)benzenem-(2-Nitrovinyl)nitrobenzenebeta,3-Dinitrostyrene1-Nitro-3-[(E)-2-nitroethenyl]benzene1-nitro-3-(2-nitroethenyl)benzenem,.beta.-Dinitrostyrene(E)-1-(3-Nitrophenyl)-2-nitroetheneMFCD00052063
Show more names
(E)-1-nitro-3-(2-nitrovinyl)benzeneá,3-dinitrostyreneSS,3-DINITROSTYRENEm,beta-Dinitrostyrene3-nitro-á-nitrostyreneβ,3-Dinitrostyrene, 98%Styrene, m,beta-dinitro-^b,3-Dinitrostyrene, 98%
Benzene, 1-nitro-3-(2-nitroethenyl)-CHEMBL47512951-Nitro-2-(m-nitrophenyl)ethylene1-Nitro-3-[2-nitrovinyl]benzenetrans-m,beta-Dinitrostyrene3-Nitro-b-nitrostyreneStyrene, m,beta-dinitro-, (E)-3-Nitro-omega-nitrostyrene
Database identifiers
- CAS
34441-47-9、882-26-8- PubChem CID
- 5355017
- DTXSID
DTXSID60879315- ChEMBL
CHEMBL4751295- EC Number
- 677-219-9
- Nikkaji
- J1.245.299C、J61.356H
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
LogP1.82
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 345.6 · 345.6±25.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- BRN
- 2051290 · 2051290
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- 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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2904200090
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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