2-Nitrobenzaldehyde tosylhydrazone
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Basic information
- CAS
58809-90-8- Standard SMILES
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1- InChIKey
OOOLPNHDHGDYPS-UHFFFAOYSA-N- Molecular formula
- C14H13N3O4S
- Average molar mass
- 319.34 g/mol
- Monoisotopic mass
- 319.06267708
Names & identifiers
- Preferred name
- 2-Nitrobenzaldehyde tosylhydrazone
- IUPAC
- 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
- English name
- 2-NITROBENZALDEHYDE TOSYLHYDRAZONE
- Molecular formula
- C14H13N3O4S
- Molecular weight
- 319.34
Names & synonyms
2-Nitrobenzaldehyde tosylhydrazone58809-90-8Benzenesulfonic acid,4-methyl-, 2-[(2-nitrophenyl)methylene]hydrazide4-Methyl-N'-(2-nitrobenzylidene)benzenesulfonohydrazide4-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]benzenesulfonamideCHEMBL3273236SCHEMBL10772213OOOLPNHDHGDYPS-XNTDXEJSSA-NSTL432343AKOS0022621532-NITRO-BENZALDEHYDE TOSYL-HYDRAZONE2-NITRO-BENZALDEHYDE-TOSYL-HYDRAZONE
Show more names
O-NITROBENZALDEHYDE TOSYLHYDRAZONE2-Nitrobenzaldehyde tosylhydrazone,99%2-NITROBENZALDEHYDE TOSYLHYDRAZONE 99%
ST50168874I80804AB00089721-01F575020SR-01000213939SR-01000213939-14-Methyl-N'-[(E)-(2-nitrophenyl)methylidene]benzenesulfonohydrazide[(1E)-2-(2-nitrophenyl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
Database identifiers
- CAS
58809-90-8- PubChem CID
- 5335166
- ChEMBL
CHEMBL3273236- EC Number
- 688-815-3
- Nikkaji
- J236.646K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Melting point
- 153 · 153-156 °C
- Boiling point
- 504.555 · 504.555±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.3759 · 1.3759 (rough estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 8.882 · 8.882±0.40(predicted)
- CAS DataBase Reference
- 58809 · 58809-90-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
- wgk
- 3
- hs_code
- 29309099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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