Basic information
- CAS
769151-68-0- Standard SMILES
O=C(Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1)c1ccccc1Cl- InChIKey
IPSUUXHCIATRDO-ZMOGYAJESA-N- Molecular formula
- C21H15BrClN3O2S
- Average molar mass
- 488.8 g/mol
- Monoisotopic mass
- 486.97569
Names & identifiers
- Preferred name
- 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate
- IUPAC
- [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
- English name
- SALOR-INT L390364-1EA
- Molecular formula
- C21H15BrClN3O2S
- Molecular weight
- 488.79
Names & synonyms
769151-68-02-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATERefChem:453063649-678-5AKOS024415067SALOR-INT L390364-1EA[4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Database identifiers
- CAS
769151-68-0- PubChem CID
- 9664860
- EC Number
- 649-678-5
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Boiling point
- 633.526 · 633.526±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.466 · 1.466±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.853 · 10.853±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H410-H315-H319
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H302-H410-H315-H319
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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