Basic information
- CAS
1211519-89-9- Standard SMILES
COC(=O)c1cnc(Br)c([N+](=O)[O-])c1- InChIKey
DBBBELCPCXHASZ-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O4
- Average molar mass
- 261.03 g/mol
- Monoisotopic mass
- 259.94327
Names & identifiers
- Preferred name
- Methyl 6-bromo-5-nitropyridine-3-carboxylate
- IUPAC
- methyl 6-bromo-5-nitropyridine-3-carboxylate
- English name
- Methyl 6-broMo-5-nitronicotinate
- Molecular formula
- C7H5BrN2O4
- Molecular weight
- 261.03
Names & synonyms
1211519-89-9methyl 6-bromo-5-nitropyridine-3-carboxylateDTXSID60856287RefChem:356275DTXCID70807028970-506-2Methyl 6-bromo-5-nitronicotinateMFCD18257551Methyl6-bromo-5-nitronicotinateSCHEMBL18227400AKOS016014534AS-50327
Show more names
3-Pyridinecarboxylic acid, 6-bromo-5-nitro-, methyl ester
SY117468DB-3200676-Bromo-5-nitro-nicotinic acid methyl esterCS-0134764Methyl 6-bromo-5-nitro-3-pyridinecarboxylateEN300-177013methyl 6-bromo-5-nitro-pyridine-3-carboxylateO11964
Database identifiers
- CAS
1211519-89-9- PubChem CID
- 71607331
- DTXSID
DTXSID60856287- EC Number
- 970-506-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 326.7 · 326.7±37.0 °C(Predicted)
- Density
- 1.756 · 1.756±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -5.28 · -5.28±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers21 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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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