Basic information
- CAS
307941-90-8- Standard SMILES
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1I- InChIKey
CLJILHWHHBQZJG-PXYULHTISA-N- Molecular formula
- C16H13IN2O
- Average molar mass
- 376.19 g/mol
- Monoisotopic mass
- 376.00726
Names & identifiers
- Preferred name
- 2-Iodo-N'-(3-phenyl-2-propenylidene)benzohydrazide
- IUPAC
- 2-iodo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
- English name
- 2-iodo-N'-[(1Z,2E)-3-phenylprop-2-en-1-ylidene]benzohydrazide
- Molecular formula
- C16H13IN2O
- Molecular weight
- 376.19
Names & synonyms
2-IODO-N'-(3-PHENYL-2-PROPENYLIDENE)BENZOHYDRAZIDERefChem:473730657-005-1AKOS0035431362-iodo-N'-[(1Z,2E)-3-phenylprop-2-en-1-ylidene]benzohydrazide
Database identifiers
- CAS
307941-90-8- PubChem CID
- 9687609
- EC Number
- 657-005-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Density
- 1.461 · 1.461±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.66 · 11.660±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H411
- Precautionary statements
- 261 · 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 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H411
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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