1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
Basic information
- CAS
329269-59-2- Standard SMILES
FC(F)Sc1nc2ccccc2n1C(F)F- InChIKey
NHBXPXYRTCDIEV-UHFFFAOYSA-N- Molecular formula
- C9H6F4N2S
- Average molar mass
- 250.22 g/mol
- Monoisotopic mass
- 250.01878202
Names & identifiers
- Preferred name
- 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
- IUPAC
- 1-(difluoromethyl)-2-(difluoromethylsulfanyl)benzimidazole
Names & synonyms
1-(difluoromethyl)-2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazole329269-59-21-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazoleRefChem:427655968-353-11-(difluoromethyl)-2-(difluoromethylsulfanyl)benzimidazoleMFCD02656302AKOS001021080EN300-89187G258101-Difluoromethyl-2-(difluoromethylthio)benzimidazoleZ56795260
Show more names
1-(Difluoromethyl)-2-((difluoromethyl)thio)-1H-benzo[d]imidazole
Database identifiers
- CAS
329269-59-2- PubChem CID
- 706758
- EC Number
- 968-353-1
- Nikkaji
- J2.941.290A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
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%)
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Related reactions
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Compound notes
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