2-Chloro-3-methyl-5-nitropyridine
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Basic information
- CAS
22280-56-4- Standard SMILES
Cc1cc([N+](=O)[O-])cnc1Cl- InChIKey
OSIOIGXJUZTWRI-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.00395508
Names & identifiers
- Preferred name
- 2-Chloro-3-methyl-5-nitropyridine
- IUPAC
- 2-chloro-3-methyl-5-nitropyridine
- English name
- 2-Chloro-3-methyl-5-nitropyridine
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
2-Chloro-3-methyl-5-nitropyridine22280-56-42-Chloro-5-nitro-3-picoline2-chloro-5-nitro-3-methylpyridine45ZN7UCB3MEINECS 244-889-5NSC-63887OSIOIGXJUZTWRI-UHFFFAOYSA-DTXSID70176827NSC 63887RefChem:86193DTXCID0099318
Show more names
2-CBUTTPARK 95\50-52TIMTEC-BB SBB0038312-Chloro-5-nitro-3-picoline,98%2-Chloro-5-nitro-3-picoline, 98% 1GR2-Chloro-3-methyl-5-nitropyridine,99%
244-889-5InChI=1/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3MFCD001736862-chloro-3-methyl-5-nitro-pyridinePyridine, 2-chloro-3-methyl-5-nitro-NSC638872-Chloro-3-methyl-5-Nitro pyridineUNII-45ZN7UCB3M
Database identifiers
- CAS
22280-56-4- PubChem CID
- 89648
- DTXSID
DTXSID70176827- UNII
- 45ZN7UCB3M
- EC Number
- 244-889-5
- Nikkaji
- J285.471F
Properties
Computed structural propertiesFilling in
- 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
- 45 · 45-50 °C
- Boiling point
- 145 °C · 145 °C / 18mmHg
- Density
- 1.561 · 1.5610 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- Crystalline Powder
- pka
- -3.61 · -3.61±0.10(Predicted)
- color
- Light beige to cream
- Sensitive
- Hygroscopic
- InChI
- InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3
- InChIKey
- OSIOIGXJUZTWRI-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C([N+]([O-])=O)C=C1C
- CAS DataBase Reference
- 22280 · 22280-56-4(CAS DataBase Reference)
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
H301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (87.2%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29333999
- risk_code
- 36/37/38-20/21/22-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-39
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
Chemistry & industry
Applications
Uses2-Chloro-3-methyl-5-nitropyridine is a nitropyridine compound, mainly used as an organic synthetic raw material or pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
104 records
Compound notes
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