3-Amino-4-bromo-6-chloropyridazine

HCID 22024419CAS 446273-59-2

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nnc(Cl)cc1Br
InChIKey: FGOWNGCSUSKHQI-UHFFFAOYSA-N
Molecular formula: C4H3BrClN3
Average molar mass: 208.44 g/mol
Monoisotopic mass: 206.91988688

Names & identifiers

Preferred name: 3-Amino-4-bromo-6-chloropyridazine
IUPAC: 4-bromo-6-chloropyridazin-3-amine
English name: 3-Amino-4-bromo-6-chloropyridazine
Molecular formula: C4H3BrClN3
Molecular weight: 208.44

Names & synonyms

3-AMINO-4-BROMO-6-CHLOROPYRIDAZINERefChem:497234801-508-2446273-59-24-bromo-6-chloropyridazin-3-amine4-bromo-6-chloro-3-pyridazinamineMFCD115208913-Pyridazinamine, 4-bromo-6-chloro-AKOS015854729GS-4400SY007243EN300-106927

Show more names

3-Amino-4-bromo-6-chL3-AMino-4-broMo-6-chlorop...3-PyridazinaMine,4-broMo-6-chloro-4-bromo-6-chloro-3-pyridazineamine3-Amino-4-bromo-6-chloropyridazine 98%3-Amino-4-bromo-6-chloropyridazine ISO 9001：2015 REACH

3-Amino-4-bromo-6-chloropyridazine, AldrichCPR4-bromo-6-chloro-pyridazin-3-amine4-Bromo-6-chl4-BROMO-6-CHLORO-PYRIDAZIN-3-YLAMINE98JHP7DVK5A826645SCHEMBL710187SCHEMBL20373111

Database identifiers

CAS: 446273-59-2
PubChem CID: 22024419
DTXSID: DTXSID50621663
UNII: 98JHP7DVK5
EC Number: 801-508-2
Nikkaji: J3.586.538A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 102

Physicochemical properties

Boiling point: 385.4 · 385.4±37.0 °C(Predicted)
Density: 1.96 · 1.960
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 1.93 · 1.93±0.10(Predicted)
form: powder
color: Light brown to brown
InChI: InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKey: FGOWNGCSUSKHQI-UHFFFAOYSA-N
SMILES: C1(N)=NN=C(Cl)C=C1Br
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H319-H335-H312+H332-H315
Precautionary statements: 280 · P280-P305+P351+P338-P362+P364
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR: 2811 · UN2811
WGK Germany: 3 · WGK 3
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.