Basic information
- CAS
69589-29-3- Standard SMILES
Clc1ccc(N=CC=Cc2ccccc2)c(Cl)c1- InChIKey
JRQNHNAYVXGQBB-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2N
- Average molar mass
- 276.2 g/mol
- Monoisotopic mass
- 275.0268547
Names & identifiers
- Preferred name
- N-(Cinnamylidene)-2,4-dichloroaniline
- IUPAC
- N-(2,4-dichlorophenyl)-3-phenylprop-2-en-1-imine
- English name
- N-(Cinnamylidene)-2,4-dichloroaniline
- Molecular formula
- C15H11Cl2N
- Molecular weight
- 276.16
Names & synonyms
N-(CINNAMYLIDENE)-2,4-DICHLOROANILINE69589-29-3RefChem:828392666-958-2Benzenamine, 2,4-dichloro-N-(3-phenyl-2-propen-1-ylidene)-
Database identifiers
- CAS
69589-29-3- PubChem CID
- 3520009
- EC Number
- 666-958-2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 422.6 · 422.6±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 2.03 · 2.03±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…