6-Bromo-2-methyl-3-nitropyridine

HCID 24728014CAS 22282-96-8

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(Br)ccc1[N+](=O)[O-]
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
Molecular formula: C6H5BrN2O2
Average molar mass: 217.02 g/mol
Monoisotopic mass: 215.95344

Names & identifiers

Preferred name: 6-Bromo-2-methyl-3-nitropyridine
IUPAC: 6-bromo-2-methyl-3-nitropyridine
English name: 2-BROMO-5-NITRO-6-PICOLINE
Molecular formula: C6H5BrN2O2
Molecular weight: 217.02

Names & synonyms

22282-96-86-bromo-2-methyl-3-nitropyridine2-Bromo-6-methyl-5-nitropyridineDTXSID00646104RefChem:540770DTXCID80596855694-528-42-Bromo-5-nitro-6-picolineMFCD030952192-bromo-5-nitro-6-methylpyridineCS-D0966AKOS005255975

Show more names

6-Bromo-3-nitropicoline6-Bromo-2-methyl-3-nitro-p2-BROMO-5-NITRO-6-PICOLIN...6-Brom-2-methyl-3-nitro-pyridi6-Brom-2-methyl-3-nitro-pyridin

6-Bromo-2-methyl-3-nitropyridine, 97%SY017254EN300-1577516-bromo-2-methyl-3-nitro-pyridine6-bromo-3-nitro-2-picolineFT-0648082SCHEMBL1128565PCNVKBBKROTUNS-UHFFFAOYSA-N

Database identifiers

CAS: 22282-96-8
PubChem CID: 24728014
DTXSID: DTXSID00646104
EC Number: 694-528-4

Properties

Computed structural properties

XLogP: 2.1
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: 69 · 69-70°C
Boiling point: 274 · 274.0±35.0 °C(Predicted)
Density: 1.709 · 1.709±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform
pka: -2.52 · -2.52±0.10(Predicted)
form: Solid
color: Yellow
InChI: 1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
SMILES: Cc1nc(Br)ccc1[N+]([O-])=O
CAS DataBase Reference: 22282 · 22282-96-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P280-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
target organs: Respiratory system
Hazard Codes: T,Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (97.7%)；STOT SE 3 (100%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 22-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: T,Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338