Basic information
- CAS
222970-61-8- Standard SMILES
COC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1- InChIKey
ILGFGEIQCLRIBI-UHFFFAOYSA-N- Molecular formula
- C7H6N2O5
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 198.0276713
Names & identifiers
- Preferred name
- Methyl 6-hydroxy-5-nitronicotinate
- IUPAC
- methyl 5-nitro-6-oxo-1H-pyridine-3-carboxylate
- English name
- 5-Nitro-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester
- Molecular formula
- C7H6N2O5
- Molecular weight
- 198.13
Names & synonyms
Methyl 6-hydroxy-5-nitronicotinateRefChem:817414625-274-4222970-61-8methyl 5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylateMETHYL 5-NITRO-6-OXO-1H-PYRIDINE-3-CARBOXYLATEMethyl 6-hydroxy-5-nitropyridine-3-carboxylateMFCD106996415-NITRO-6-OXO-1,6-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID METHYL ESTERDTXSID80579289Methyl6-hydroxy-5-nitronicotinateAKOS008126038
Show more names
5-Nit5-carbomethoxy-3-nitro-1H-pyridin-2-one6-Hydroxy-5-nitro-3-carbonsure-methylester6-Hydroxy-5-nitronicotinic acid methyl ester6-Hydroxy-5-nitropyridine-3-carboxylic acid methyl esterMethyl 6-hydroxy-5-nitropyridine-3-carboxylate, CAS 222970-61-83-Pyridinecarboxylic acid, 1,6-dihydro-5-nitro-6-oxo-, methyl ester
SY105834CS-0081060O11971Z382701658SCHEMBL18038271SCHEMBL30388327XIA97061MFCD07357382
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 365.4 · 365.4±42.0 °C(Predicted)
- Density
- 1.49 · 1.49
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.34 · 6.34±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 195801 · 195801
- InChI
- 1S/C7H6N2O5/c1-14-7(11)4-2-5(9(12)13)6(10)8-3-4/h2-3H,1H3,(H,8,10)
- InChIKey
- ILGFGEIQCLRIBI-UHFFFAOYSA-N
- SMILES
- COC(=O)c1cnc(O)c(c1)[N+]([O-])=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261
- hs_code
- 2933399990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesMethyl 6-hydroxy-5-nitropyridine-3-carboxylate (5-Nitro-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester) is a high purity and quality chemical used as heterocyclic building block. It is used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
Suppliers49 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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