Basic information
- CAS
59338-84-0- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(N)cc1OC- InChIKey
CUJURECWKNETII-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5
- Average molar mass
- 226.19 g/mol
- Monoisotopic mass
- 226.05897142
Names & identifiers
- Preferred name
- Methyl 4-amino-5-nitro-o-anisate
- IUPAC
- methyl 4-amino-2-methoxy-5-nitrobenzoate
- English name
- 4-Amino-2-methoxy-5-nitrobenzoicacid methyl ester
- Molecular formula
- C9H10N2O5
- Molecular weight
- 226.19
Names & synonyms
Methyl 4-amino-5-nitro-o-anisateBenzoic acid, 4-amino-2-methoxy-5-nitro-, methyl esterEINECS 261-703-8RefChem:816177261-703-8methyl 4-amino-2-methoxy-5-nitrobenzoate59338-84-0MFCD09952401DTXSID50866754CS-M1872AKOS016846125AS-10231
Show more names
4-Amino-2-methoxy-5-nitrobenzoic acidAlizapride Impurity EMethyl-4-Amin〇-2-Methoxy-5- Nitrobenzoate4-Amino-2-methoxy-5-nitrobenzoicacidmethylester2-METHOXY 4-AMINO-5-NITROBENZOIC ACID METHYL ESTER5- NITRO 4-AMINO 2 METHOXY BENZOIC ACID METHYL ESTER
SMR004701724EN300-132333SR-010009450864-Amino-2-methoxy-5-nitrobenzoic acid methyl estermethyl-4-amino-2-methoxy-5-nitrobenzoatemethyl 4-amino-2-methoxy-5-nitro-benzoateCinitapride Impurity N65MLS006010809
Database identifiers
- CAS
59338-84-0- PubChem CID
- 101013
- DTXSID
DTXSID50866754
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 429 · 429.0±40.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -2.98 · -2.98±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H312-H335-H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- REACH Registrations
- Active
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
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Methyl 4-amino-5-nitro-o-anisate (EC: 261-703-8)
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H312-H335-H332
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers73 total
韶远科技(上海)有限公司4000665055 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
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]
Related reactions
2 records
Compound notes
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