Basic information
- CAS
3179-09-7- Standard SMILES
COc1cccc(/C=C/[N+](=O)[O-])c1- InChIKey
IJBGIPFDIABTKB-AATRIKPKSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 1-Methoxy-3-(2-nitrovinyl)benzene
- IUPAC
- 1-methoxy-3-[(E)-2-nitroethenyl]benzene
- English name
- 1-Methoxy-3-(2-nitrovinyl)benzene
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
1-Methoxy-3-(2-nitrovinyl)benzene3179-09-755446-68-9Anisole, m-(2-nitrovinyl)-(E)-1-methoxy-3-(2-nitrovinyl)benzene1-Methoxy-3-[(E)-2-nitroethenyl]benzene1-methoxy-3-(2-nitroethenyl)benzeneMFCD000248221-Methoxy-3-[(E)-2-nitrovinyl]benzeneCHEMBL4747743Benzene, 1-methoxy-3-(2-nitroethenyl)-, (E)-Benzene, 1-methoxy-3-(2-nitroethenyl)-
Show more names
trans-3-methoxy-β-nitrosytrene3-METHOXY-B-NITROSTYRENEm-Methoxy-b-nitrostyrenem-Methoxy-w-nitrostyrene3-Methoxy-β-nitrostyrene3-METHOXY-BETA-NITROSTYRENE3-METHOXY-ALPHA-NITROSTYRENE3'-METHOXY-BETA-NITROSTYRENEtrans-3-Methoxy-β-nitrosytrenetrans-3-Methoxy-beta-nitrostyrene
3-METHOXY-NITROSTYRENEtrans-3-Methoxy-|A-nitrosytreneNSC93425Cyto9E7Cambridge id 5102116m-Methoxy-.beta.-nitrostyreneSCHEMBL233939SCHEMBL278627
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
LogP2.3
Physicochemical properties
- Melting point
- 91 · 91-95 °C(lit.)
- Boiling point
- 304.6 · 304.6±17.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C9H9NO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3/b6-5+
- InChIKey
- IJBGIPFDIABTKB-AATRIKPKSA-N
- SMILES
- COc1cccc(\C=C\[N+]([O-])=O)c1
- CAS DataBase Reference
- 3179 · 3179-09-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Anisole, m-(2-nitrovinyl)-(3179-09-7)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- IRRITANT, KEEP COLD
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methoxy-β-nitrostyrene was used in the synthesis of novel thiazoline catalysts which are used in Michael addition reactions. Also used in the synthesis of chiral ferrocenophanes.
Suppliers35 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…