Basic information
- CAS
769142-81-6- Standard SMILES
NC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1- InChIKey
ABQVLKKZYXSWEM-GIJQJNRQSA-N- Molecular formula
- C15H12ClN3O3
- Average molar mass
- 317.72 g/mol
- Monoisotopic mass
- 317.0567189
Names & identifiers
- Preferred name
- 2-(2-(Aminocarbonyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
- English name
- SALOR-INT L369357-1EA
- Molecular formula
- C15H12ClN3O3
- Molecular weight
- 317.73
Names & synonyms
2-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:453040769142-81-6650-397-5AKOS024413237SALOR-INT L369357-1EA
Database identifiers
- CAS
769142-81-6- PubChem CID
- 9636728
- EC Number
- 650-397-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H400
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H400
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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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