2-Chloro-4-methoxy-3-nitropyridine
Basic information
- CAS
6980-09-2- Standard SMILES
COc1ccnc(Cl)c1[N+](=O)[O-]- InChIKey
SVXPNTNLKOJPTK-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O3
- Average molar mass
- 188.57 g/mol
- Monoisotopic mass
- 187.9988697
Names & identifiers
- Preferred name
- 2-Chloro-4-methoxy-3-nitropyridine
- IUPAC
- 2-chloro-4-methoxy-3-nitropyridine
- English name
- 2-Chloro-4-methoxy-3-nitropyridine
- Molecular formula
- C6H5ClN2O3
- Molecular weight
- 188.57
Names & synonyms
2-chloro-4-methoxy-3-nitropyridine6980-09-2DTXSID60396299RefChem:258778DTXCID90347158874-807-92-chloro-4-methoxy-3-nitro-pyridineMFCD009557562-Chloro-3-nitro-4-methoxypyridineSCHEMBL2241680SCHEMBL29958897SVXPNTNLKOJPTK-UHFFFAOYSA-N
Show more names
0/2/80Pyridine, 2-chloro-4-methoxy-3-nitro-
CL0271AKOS006273736CS-W021653GS-5690SB52355AC-23177SY107734DB-098618
Database identifiers
- CAS
6980-09-2- PubChem CID
- 3778232
- DTXSID
DTXSID60396299- EC Number
- 874-807-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 314.9 · 314.9±37.0 °C(Predicted)
- Density
- 1.445 · 1.445
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.48 · -0.48±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302+H312+H332-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933399990 · 2933399990
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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302+H312+H332-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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