Basic information
- CAS
18790-57-3- Standard SMILES
COc1ccc(OC)c(C=C(C)[N+](=O)[O-])c1- InChIKey
MQFREHNTGKNSRH-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Benzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-
- IUPAC
- 1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene
- English name
- 1,4-Dimethoxy-2-(2-nitroprop-1-enyl)benzene
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
Benzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-EINECS 242-573-1NSC 151247AI3-283362,5-Dimethoxy-beta-methyl-beta-nitrostyrene1-(2,5-Dimethoxyphenyl)-2-nitropropeneBenzene, 1,4-dimethoxy-2-(2-nitropropenyl)-RefChem:562332Benzene, 1,4-dimethoxy-2-(2-nitropropenyl)-(8CI)18790-57-31,4-dimethoxy-2-(2-nitroprop-1-enyl)benzeneBenzene, 1,4-dimethoxy-2-(2-nitro-1-propenyl)-
Show more names
1-(2,5-DIMETHOXYPHENYL) 2-NITROPROPENE2-Nitro-1-(2,5-diMethoxyphenyl)-1-propene1,4-Dimethoxy-2-(2-nitro-1-propenyl)benzene1-(2,5-DIMETHOXYPHENYL)-2-NITROPROPENE, >95%1,4-DiMethoxy-2-(2-nitroprop-1-en-1-yl)benzene
1,4-Dimethoxy-2-(2-nitropropenyl)benzeneDTXSID9066413SCHEMBL11483415SCHEMBL29279593MQFREHNTGKNSRH-UHFFFAOYSA-NAKOS030255510DB-004376NS00026149
Database identifiers
- CAS
18790-57-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 355.7 · 355.7±27.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Dichloromethane, Diethyl Ether, Ethyl Acetate, Methanol
- form
- Yellow Needles
- EPA Substance Registry System
- 1 · Benzene, 1,4-dimethoxy-2-(2-nitro-1-propenyl)- (18790-57-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-: INACTIVE
Applications
UsesUsed in the preparation of hallucinogenic phenethylamine derivatives.
Upstream & downstream products
Downstream products
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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