Basic information
- CAS
23056-33-9- Standard SMILES
Cc1cc(Cl)ncc1[N+](=O)[O-]- InChIKey
HWZUMEVIIGNXGM-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.00395508
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Chloro-4-methyl-5-nitropyridine
- IUPAC
- 2-chloro-4-methyl-5-nitropyridine
- English name
- 2-Chloro-4-methyl-5-nitropyridine
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
2-Chloro-4-methyl-5-nitropyridine23056-33-9DTXSID90323073RefChem:469063DTXCID90274192626-547-02-Chloro-5-nitro-4-picoline2-Chloro-4-methyl-5-nitro-pyridinePyridine, 2-chloro-4-methyl-5-nitro-MFCD000106882-Chloro-4-Methyl-5-Nitro pyridine2-Chloro-5-nitro-4-methylpyridine
Show more names
2-chloro-4-methyl-3-chloro-4-methyl-5-nitropyridine-5-nitropyridine5-Nitro-2-chloro-4-picoline2-Chloro-4-Methyl-5-nitro...2-CHLORO-5-NITRO-4-PICOLINE 98+%2-CHIORO-4-METHYL-5-NITROPYRIDINE
NSC402978SCHEMBL381803SCHEMBL29390182CS-D0901STR08563SBB063553AKOS005145586AC-3178
Database identifiers
- CAS
23056-33-9- PubChem CID
- 345364
- DTXSID
DTXSID90323073
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 37 · 37-39 °C (lit.)
- Boiling point
- 91 °C/5 · 91 °C/5 mmHg (lit.)
- Density
- 1.561 · 1.5610 (rough estimate)
- refractive index
- 1.587 · 1.5870 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- Crystalline Powder or Chunks
- pka
- -3.42 · -3.42±0.10(Predicted)
- color
- Light cream to light brown
- InChI
- InChI=1S/C6H5ClN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3
- InChIKey
- HWZUMEVIIGNXGM-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C([N+]([O-])=O)C(C)=C1
- CAS DataBase Reference
- 23056 · 23056-33-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-4-methyl-5-nitropyridine may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
111 records
Compound notes
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