Basic information
- CAS
84228-49-9- Standard SMILES
COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1N- InChIKey
ISMXPTNCRAJFPH-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O4
- Average molar mass
- 230.6 g/mol
- Monoisotopic mass
- 230.00943438
Names & identifiers
- Preferred name
- Methyl 2-amino-5-chloro-3-nitrobenzoate
- IUPAC
- methyl 2-amino-5-chloro-3-nitrobenzoate
- English name
- METHYL 2-AMINO-5-CHLORO-3-NITROBENZOATE
- Molecular formula
- C8H7ClN2O4
- Molecular weight
- 230.61
Names & synonyms
Methyl 2-amino-5-chloro-3-nitrobenzoate84228-49-9Methyl2-amino-5-chloro-3-nitrobenzoateMFCD02068568Benzoic acid, 2-amino-5-chloro-3-nitro-, methyl ester2-Amino-5-chloro-3-nitro-benzoic acid methyl esterSCHEMBL505205DTXSID20346831methyl 5-chloro-3-nitroanthranilateAKOS022171553AB10650AS-33103
Show more names
2-Amino-5-chloro-3-nitrobenzoic acid methyl ester
DA-02473SY016548methyl 2-amino-5-chloro-3-nitro-benzoateMethyl 2-amino-5-chloro-3-nitrobenzoate #CS-01874665-Chloro-3-nitroanthranilic acid methyl ester5-Chloro-3-nitro-2-aminobenzoic acid methyl esterAE-641/00585035
Database identifiers
- CAS
84228-49-9- PubChem CID
- 615489
- DTXSID
DTXSID20346831
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 368.7 · 368.7±37.0 °C(Predicted)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -3.54 · -3.54±0.25(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海启智医药科技有限公司021-54849683 13601642561 · [email protected]
合肥骐成医药科技有限公司15385513552 · [email protected]
天津安浩生物科技有限公司[email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
Related reactions
3 records
Compound notes
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