Basic information
- CAS
190367-57-8- Standard SMILES
COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1C- InChIKey
OBEIQHRWPFVXDA-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO4
- Average molar mass
- 229.62 g/mol
- Monoisotopic mass
- 229.0141854
Names & identifiers
- Preferred name
- Methyl 4-chloro-2-methyl-3-nitrobenzoate
- IUPAC
- methyl 4-chloro-2-methyl-3-nitrobenzoate
- English name
- methyl 4-chloro-2-methyl-3-nitrobenzoate
- Molecular formula
- C9H8ClNO4
- Molecular weight
- 229.62
Names & synonyms
Methyl 4-chloro-2-methyl-3-nitrobenzoate190367-57-8MFCD27946730Benzoic acid, 4-chloro-2-methyl-3-nitro-, methyl esterMethyl 4-chloro-2-methyl-3-nitro-benzoateSCHEMBL305861OBEIQHRWPFVXDA-UHFFFAOYSA-NDTXSID301277576AKOS027441560Methyl4-chloro-2-methyl-3-nitrobenzoateBS-15857SY224159
Show more names
DB-114761CS-0153677D83531F694981
Database identifiers
- CAS
190367-57-8- PubChem CID
- 10657064
- DTXSID
DTXSID301277576
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 317.5 · 317.5±37.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- 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
Suppliers21 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
苏州孚伊洛生物科技有限公司0512-87819718 18912655635 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
Aromsyn Co., Ltd.
Related reactions
5 records
Compound notes
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