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P-Toluic (4-chlorobenzylidene)hydrazide

HCID 6876540
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Basic information

CAS
51771-25-6
Standard SMILES
Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIKey
NRWQQRUMXPWHTJ-UHFFFAOYSA-N
Molecular formula
C15H13ClN2O
Average molar mass
272.73 g/mol
Monoisotopic mass
272.0716407

Names & identifiers

Preferred name
P-Toluic (4-chlorobenzylidene)hydrazide
IUPAC
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide
English name
p-Toluic acid N2-(4-chlorobenzylidene) hydrazide
Molecular formula
C15H13ClN2O
Molecular weight
272.73

Names & synonyms

P-TOLUIC (4-CHLOROBENZYLIDENE)HYDRAZIDERefChem:858220668-257-7Hydrazine, 1-(p-chlorobenzylidene)-2-(p-methylbenzoyl)-51771-25-6N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamideN'-[(E)-(4-chlorophenyl)methylidene]-4-methylbenzohydrazideBRN 5040365p-Toluic acid, (p-chlorobenzylidene)hydrazideBenzoic acid, 4-methyl-, ((4-chlorophenyl)methylene)hydrazideCHEMBL2235147STK324815
Show more names
p-Toluic acid N2-(4-chlorobenzylidene) hydrazideBenzoic acid, 4-methyl-, 2-[(4-chlorophenyl)methylene]hydrazide
AKOS001022098Z49680542

Database identifiers

CAS
51771-25-6
PubChem CID
6876540
ChEMBL
CHEMBL2235147
EC Number
668-257-7
Nikkaji
J154.045I

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
316

Physicochemical properties

Symbol(GHS)
9 · GHS09
Signal word
Warning
Hazard statements
410 · H410
Precautionary statements
273 · 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 · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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 CategoriesAquatic Acute 1 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H410
Precautionary statements
P273-P391-P501

Related reactions

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Compound notes

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