4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene
Basic information
- CAS
175205-14-8- Standard SMILES
COc1ccc(Br)cc1C=C[N+](=O)[O-]- InChIKey
IAHCHTBHTXVKTC-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO3
- Average molar mass
- 258.07 g/mol
- Monoisotopic mass
- 256.96876
Names & identifiers
- Preferred name
- 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene
- IUPAC
- 4-bromo-1-methoxy-2-(2-nitroethenyl)benzene
- English name
- 5-Bromo-2-methoxy-omega-nitrostyrene
- Molecular formula
- C9H8BrNO3
- Molecular weight
- 258.07
Names & synonyms
4-bromo-1-methoxy-2-(2-nitroethenyl)benzeneDTXSID50313930RefChem:290493DTXCID80265054175205-14-8Maybridge1_007039SCHEMBL8639566AKOS017269584DB-0650474-Bromo-1-methoxy-2-(2-nitroethen-1-yl)benzene5-bromo-2-methoxy-i-nitrostyrene5-BROMO-2-METHOXY-W-NITROSTYRENE
Show more names
5-Bromo-2-methoxy-omega-nitrostyrene5-Bromo-2-methoxy-β-nitrostyrene, 97%5-Bromo-2-methoxy-^b-nitrostyrene, 97%5-BROMO-2-METHOXY-BETA-NITROSTYRENE, 97%1-(5-BROMO-2-METHOXYPHENYL)-2-NITROETHENE4-BROMO-1-METHOXY-2-(2-NITROVINYL)BENZENE1-(5-BROMO-2-METHOXYPHENYL)-2-NITROETHYLENEBenzene, 4-bromo-1-methoxy-2-(2-nitroethenyl)-
Database identifiers
- CAS
175205-14-8- PubChem CID
- 322241
- DTXSID
DTXSID50313930- EC Number
- 681-387-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 120 · 120-122°C
- Boiling point
- 357.5 · 357.5±32.0 °C(Predicted)
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 20/21/22-36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280g-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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