Basic information
- CAS
958245-17-5- Standard SMILES
COc1cc([N+](=O)[O-])ccc1-n1cnc(C)c1- InChIKey
OTZCJYQGKVYWHJ-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004121
Names & identifiers
- Preferred name
- 1-(2-methoxy-4-nitrophenyl)-4-methyl-1H-imidazole
- IUPAC
- 1-(2-methoxy-4-nitrophenyl)-4-methylimidazole
- English name
- 1-(2-methoxy-4-nitrophenyl)-4-methyl-1H-imidazole
- Molecular formula
- C11H11N3O3
- Molecular weight
- 233.22
Names & synonyms
1-(2-methoxy-4-nitrophenyl)-4-methyl-1H-imidazole958245-17-51-(2-methoxy-4-nitrophenyl)-4-methylimidazoleMFCD118704741H-Imidazole, 1-(2-methoxy-4-nitrophenyl)-4-methyl-SCHEMBL512865DTXSID60670223OTZCJYQGKVYWHJ-UHFFFAOYSA-NCS-B0290AKOS016001400CS-14018DB-345179
Show more names
C120101-(2-methoxy-4-nitro-phenyl)-4-methyl-imidazoleF7877731-(2-Methoxy-4-nitro-phenyl)-4-methyl-1H-imidazole
Database identifiers
- CAS
958245-17-5- PubChem CID
- 45480180
- DTXSID
DTXSID60670223
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 439.6 · 439.6±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.1 · 5.10±0.61(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
台州南峰药物研究所[email protected] 18616377689 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
AbaChemScene732-484-9848 · [email protected]
上海智乾生物科技有限公司[email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
20 records
Compound notes
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