Basic information
- CAS
85111-80-4- Standard SMILES
CC(=O)c1ccc(N=Cc2ccccc2Cl)cc1- InChIKey
WVYAARLSLNKEHT-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0607417
Names & identifiers
- Preferred name
- N-(2-Chlorobenzylidene)-4-acetylaniline
- IUPAC
- 1-[4-[(2-chlorophenyl)methylideneamino]phenyl]ethanone
- English name
- N-(2-CHLOROBENZYLIDENE)-4-ACETYLANILINE&
- Molecular formula
- C15H12ClNO
- Molecular weight
- 257.71
Names & synonyms
N-(2-Chlorobenzylidene)-4-acetylaniline85111-80-4RefChem:825204635-892-61-[4-[(2-chlorophenyl)methylideneamino]phenyl]ethanoneSCHEMBL12416792STK662321AKOS005525857N-(2-Chlorobenzylidene)-4-acetylaniline, 90%1-(4-{[(2-chlorophenyl)methylidene]amino}phenyl)ethan-1-one1-(4-{[(E)-(2-chlorophenyl)methylidene]amino}phenyl)ethanoneEthanone, 1-[4-[[(2-chlorophenyl)methylene]amino]phenyl]-
Show more names
1-(4-(((2-Chlorophenyl)methylene)amino)phenyl)ethanone, 4μ-(2-Chlorobenzylideneamino)acetophenone, 4-Acetyl-N-(2-chlorobenzylidene)aniline
Database identifiers
- CAS
85111-80-4- PubChem CID
- 577427
- EC Number
- 635-892-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 103 · 103-107 °C
- Boiling point
- 423 · 423.0±30.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 1.7 · 1.70±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi,N
- Risk Statements
- 51 · 51/53
- Safety Statements
- 36 · 36/37-61
- RIDADR
- 3077 · UN 3077 9/PG 3
- 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
H319 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- risk_code
- 51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N
- safety_code
- 36/37-61
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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