Basic information
- CAS
764652-82-6- Standard SMILES
Cc1cccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)c1- InChIKey
KFTXGQFBVBCXCH-GIJQJNRQSA-N- Molecular formula
- C15H13Cl2N3S
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 337.020724
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzaldehyde N-(3-methylphenyl)thiosemicarbazone
- IUPAC
- 1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
Names & synonyms
2,6-DICHLOROBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONERefChem:445447656-721-1764652-82-6AKOS024416697
Database identifiers
- CAS
764652-82-6- PubChem CID
- 9687654
- EC Number
- 656-721-1
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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