Basic information
- CAS
30808-70-9- Standard SMILES
CC(=O)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
WSHHPNYAXLDUTG-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- 4'-(Phenylazo)acetanilide
- IUPAC
- N-(4-phenyldiazenylphenyl)acetamide
- English name
- para-Acetamidoazobenzene
- Molecular formula
- C14H13N3O
- Molecular weight
- 239.27
Names & synonyms
4'-(Phenylazo)acetanilideN-[4-(2-Phenyldiazenyl)phenyl]acetamideN-(4-(2-Phenyldiazenyl)phenyl)acetamideRefChem:505934664-121-6p-Acetamidoazobenzene4128-71-6N-(4-(phenyldiazenyl)phenyl)acetamide4-Acetylaminoazobenzene4'-PhenylazoacetanilideN-(4-phenyldiazenylphenyl)acetamidep-(Phenylazo)acetanilide
Show more names
PARA-ACETAMIDOBENZENEpara-Acetamidoazobenzene4-(Acetylamino)azobenzeneN-(Azobenzene-4-yl)acetamideAcetamide, N-[4-(2-phenyldiazenyl)phenyl]-
Acetamide, N-(4-(phenylazo)phenyl)-N-[4-(phenyldiazenyl)phenyl]acetamide4-AcetamidoazobenzeneAcetanilide, 4'-(phenylazo)-N-(4-Phenylazo-phenyl)-acetamideN-(4-(PHENYLAZO)PHENYL)ACETAMIDEMLS000557208N-[4-(Phenylazo)phenyl]acetamide
Database identifiers
- CAS
30808-70-9、4128-71-6- PubChem CID
- 20085
- DTXSID
DTXSID501040901- ChEMBL
CHEMBL1483163、CHEMBL311003- UNII
- BG6347T8EQ
- EC Number
- 664-121-6
- Nikkaji
- J33.450B、J485.156K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 145 °C · 145°C
- Boiling point
- 381.93 °C · 381.93°C (rough estimate)
- Density
- 1.124 · 1.1240 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 14.59 · 14.59±0.70(Predicted)
- FDA UNII
- 6347 T8EQ · BG6347T8EQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · 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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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