4-tert-Butyl-3,6-dichloropyridazine

HCID 89846CAS 22808-29-3

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)c1cc(Cl)nnc1Cl
InChIKey: DTUZXHRABOWYAE-UHFFFAOYSA-N
Molecular formula: C8H10Cl2N2
Average molar mass: 205.08 g/mol
Monoisotopic mass: 204.02210368

Names & identifiers

Preferred name: 4-tert-Butyl-3,6-dichloropyridazine
IUPAC: 4-tert-butyl-3,6-dichloropyridazine
English name: 4-tert-Butyl-3,6-dichloropyridazine
Molecular formula: C8H10Cl2N2
Molecular weight: 205.08

Names & synonyms

4-tert-Butyl-3,6-dichloropyridazine3,6-Dichloro-4-(1,1-dimethylethyl)pyridazine3,6-Dichloro-4-tert-butylpyridazinePyridazine, 4-tert-butyl-3,6-dichloro-Pyridazine, 3,6-dichloro-4-(1,1-dimethylethyl)-DTXSID40945486RefChem:100506DTXCID001373800855-644-222808-29-34-(tert-Butyl)-3,6-dichloropyridazineMFCD01938756

Show more names

4-TERT-BUTYL-3,6-DICHLOROPYRIDAZINE ISO 9001：2015 REACH

4-tert-butyl-3,6-dichloro-pyridazinePyridazine,3,6-dichloro-4-(1,1-dimethylethyl)-SCHEMBL249075SCHEMBL29417448DTUZXHRABOWYAE-UHFFFAOYSA-N3,6-dichloro-4-t-butylpyridazine4-t-butyl-3,6-dichloropyridazineAKOS015837947

Database identifiers

CAS: 22808-29-3
PubChem CID: 89846
DTXSID: DTXSID40945486
EC Number: 855-644-2
Nikkaji: J1.610.391H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 37 · 37-40 °C
Boiling point: 297.3 · 297.3±35.0 °C(Predicted)
Density: 1.231 · 1.231
refractive index: 1.52 · 1.52
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform, Dichloromethane
form: Oil
pka: -0.4 · -0.40±0.10(Predicted)
color: Colourless
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 3 · Pyridazine, 3,6-dichloro-4-(1,1-dimethylethyl)- (22808-29-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Toxicity: 500 mg/kg · rat,LDLo,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYEBEHAVIORAL: COMABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,National Technical Information Service. Vol. OTS0544009,

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Toxicity: rat,LDLo,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYEBEHAVIORAL: COMABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,National Technical Information Service. Vol. OTS0544009,
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338