4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
767320-31-0- Standard SMILES
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)cc2)cc1OC- InChIKey
QRCIKRIWUGESCE-AFUMVMLFSA-N- Molecular formula
- C23H20ClN3O4S
- Average molar mass
- 469.9 g/mol
- Monoisotopic mass
- 469.086305
Names & identifiers
- Preferred name
- 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
- English name
- SALOR-INT L402028-1EA
- Molecular formula
- C23H20ClN3O4S
- Molecular weight
- 469.94
Names & synonyms
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATERefChem:511133767320-31-0643-400-6AKOS024416026SALOR-INT L402028-1EA
Database identifiers
- CAS
767320-31-0- PubChem CID
- 9634698
- EC Number
- 643-400-6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 615.14 · 615.140±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.291 · 1.291±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.263 · 10.263±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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