CAS 29241-60-9 5-Bromo-2-chloro-3-methylpyridine (HCID 285434)

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Basic information

CAS: 29241-60-9
Standard SMILES: Cc1cc(Br)cnc1Cl
InChIKey: YTSKHJMMNFPBBZ-UHFFFAOYSA-N
Molecular formula: C6H5BrClN
Average molar mass: 206.47 g/mol
Monoisotopic mass: 204.92938894

Names & identifiers

Preferred name: 5-Bromo-2-chloro-3-methylpyridine
IUPAC: 5-bromo-2-chloro-3-methylpyridine
English name: 2-Chloro-3-methyl-5-bromopyridine
Molecular formula: C6H5BrClN
Molecular weight: 206.47

Names & synonyms

5-bromo-2-chloro-3-methylpyridineDTXSID50301312RefChem:533121DTXCID00252446691-306-929241-60-92-chloro-3-methyl-5-bromopyridine5-Bromo-2-chloro-3-picolinePyridine, 5-bromo-2-chloro-3-methyl-MFCD030950935-bromo-2-chloro-3-methyl pyridine5-bromo-2-chloro-3-methyl-pyridine

Show more names

Ozenoxacin Impurity 35-Bromo-2-chloro-3-picoline,98%2-Chloro-3-methyl-5-bromopyridin2-Chloro-5-bromo-3-methylpyridine2-CHLORO-3-METHYL-5-BROMO PYRIDINE2-chlorine-3-methyl-5-Bromopyridine

CS-D0945AC-7014PS-8072SY002697B37442-chloro-5-bromo-3-picolineNSC142312FT-0638841

Database identifiers

CAS: 29241-60-9
PubChem CID: 285434
DTXSID: DTXSID50301312
EC Number: 691-306-9
Nikkaji: J1.982.154D

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 40 · 40-44 °C
Boiling point: 78 °C/3mmHg · 78°C/3mmHg(lit.)
Density: 1.6567 · 1.6567 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Solid
pka: -1 · -1+-.0.10(Predicted)
color: White to Almost white
CAS DataBase Reference: 29241 · 29241-60-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38

Safety & regulation

GHS classification

GHS Classification · 4 items

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

hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a