5-Chloro-2,3-dimentyl-1,4-benzoquinone
Basic information
- CAS
40967-77-9- Standard SMILES
CC1=C(C)C(=O)C(Cl)=CC1=O- InChIKey
XQZPZKPEWGKVJW-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.0134572
Names & identifiers
- Preferred name
- 5-Chloro-2,3-dimentyl-1,4-benzoquinone
- IUPAC
- 5-chloro-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
40967-77-9RefChem:5343605-Chloro-2,3-dimentyl-1,4-benzoquinone637-008-45-chloro-2,3-dimethylcyclohexa-2,5-diene-1,4-dioneSCHEMBL9560212AKOS024341739ST1090425-CHLORO-2,3-DIMETHYL-(1,4)BENZOQUINONE
Database identifiers
- CAS
40967-77-9- PubChem CID
- 4601709
- EC Number
- 637-008-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 297
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, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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