Basic information
- CAS
24160-51-8- Standard SMILES
COc1cc(OC)c(OC)cc1C=C[N+](=O)[O-]- InChIKey
DPZJDIXHUBSWDS-UHFFFAOYSA-N- Molecular formula
- C11H13NO5
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 239.07937252
Names & identifiers
- Preferred name
- Benzene, 1,2,4-trimethoxy-5-(2-nitroethenyl)-
- IUPAC
- 1,2,4-trimethoxy-5-(2-nitroethenyl)benzene
- English name
- 1-(2,4,5-Trimethoxyphenyl)-2-nitroethene
- Molecular formula
- C11H13NO5
- Molecular weight
- 239.22
Names & synonyms
1,2,4-trimethoxy-5-(2-nitroethenyl)benzene24160-51-8Benzene, 1,2,4-trimethoxy-5-(2-nitroethenyl)-1-(2,4,5-TRIMETHOXYPHENYL)-2-NITROETHENEOprea1_030239DTXSID903154181,2,4-Trimethoxy-5-(2-nitroethen-1-yl)benzene2,4,5-TRIMETHOXYNITROSTYRENE2,4,5-TRIMETHOXY-OMEGA-NITROSTYRENE2,4,5-TRIMETHOXY-BETA-NITROSTYRENE, >95%
Database identifiers
- CAS
24160-51-8- PubChem CID
- 325546
- DTXSID
DTXSID90315418- EC Number
- 631-048-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Chloroform, DCM, Ethyl Acetate
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,4,5-Trimethoxy-ω-nitrostyrene is an analog of dopamine (D533780), a antihypotensive agent.
Suppliers2 total
凯试（上海）科技有限公司021-50135380 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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