2-Chloro-3-methyl-5-nitropyridine (HCID 89648)

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 properties

XLogP: 2
Topological polar surface area: 58.7 Å²
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)
FDA UNII: 45 ZN7UCB3M · 45ZN7UCB3M
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22-41-37/38-22
Safety Statements: 37 · 37/39-26-39
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333999 · 29333999
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

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: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses2-Chloro-3-methyl-5-nitropyridine is a nitropyridine compound, mainly used as an organic synthetic raw material or pharmaceutical intermediate.