CAS 73583-37-6 4-Bromo-2-chloropyridine (HCID 3847770)

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Basic information

CAS: 73583-37-6
Standard SMILES: Clc1cc(Br)ccn1
InChIKey: ONHMWUXYIFULDO-UHFFFAOYSA-N
Molecular formula: C5H3BrClN
Average molar mass: 192.44 g/mol
Monoisotopic mass: 190.91373888

Names & identifiers

Preferred name: 4-Bromo-2-chloropyridine
IUPAC: 4-bromo-2-chloropyridine
English name: 2-Chloro-4-bromopyridine
Molecular formula: C5H3BrClN
Molecular weight: 192.44

Names & synonyms

4-Bromo-2-chloropyridine73583-37-6DTXSID20397267RefChem:290696DTXCID50348126629-180-42-Chloro-4-Bromopyridine4-bromo-2-chloro-pyridinePYRIDINE, 4-BROMO-2-CHLORO-MFCD038407564-Bromo-2-chloropyridine, 97%AKOS005145618

Show more names

2-CHLORO-4-F2-chloro-4-bromopyridne2-CHLORO-4-FLUOROYRIDINE2-Bromo-2-chloropyridine2-Chloro-4-boroMopyridine4-Bromo-2-chloropyridine >4-Bromo-2-chloropyridine 98%

PS-6261SY006236BCP22210AM20070076SCHEMBL171912orb2939968SCHEMBL3608761SCHEMBL4926053

Database identifiers

CAS: 73583-37-6
PubChem CID: 3847770
DTXSID: DTXSID20397267
EC Number: 629-180-4
Nikkaji: J1.748.333A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Melting point: 27 C · 27 C
Boiling point: 70 °C · 70 °C / 3mmHg
Density: 1.7336 g/mL · 1.7336 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5900(lit.)
Flash point: 225 °F · 225 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.24 · 0.24±0.10(Predicted)
form: Powder
Specific Gravity: 1.7336 · 1.7336
color: Yellow
Water Solubility: Not miscible or difficult to mix in water.
InChI: InChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKey: ONHMWUXYIFULDO-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(Br)=C1
CAS DataBase Reference: 73583 · 73583-37-6(CAS DataBase Reference)
UNSPSC Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.