4-tert-Butyl-3,6-dichloropyridazine
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Basic information
- CAS
22808-29-3- 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 propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 25.8 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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