N-Phenyl-N'-(2-thienylmethylene)-1,4-phenylenediamine
Basic information
- CAS
18210-08-7- Standard SMILES
C(=Nc1ccc(Nc2ccccc2)cc1)c1cccs1- InChIKey
YQZCWCKDOAXNRT-UHFFFAOYSA-N- Molecular formula
- C17H14N2S
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.08776963
Names & identifiers
- Preferred name
- N-Phenyl-N'-(2-thienylmethylene)-1,4-phenylenediamine
- IUPAC
- N-phenyl-4-(thiophen-2-ylmethylideneamino)aniline
- English name
- N-Phenyl-N'-(2-thienylmethylene)-1,4-phenylenediamine
- Molecular formula
- C17H14N2S
- Molecular weight
- 278.37
Names & synonyms
N-PHENYL-N'-(2-THIENYLMETHYLENE)-1,4-PHENYLENEDIAMINERefChem:83095618210-08-7666-205-8N-phenyl-N'-(2-thienylmethylene)-1,4-benzenediamineAKOS0034111501,4-Benzenediamine, N1-phenyl-N4-(2-thienylmethylene)-
Database identifiers
- CAS
18210-08-7- PubChem CID
- 962134
- EC Number
- 666-205-8
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 466.2 · 466.2±25.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 4.39 · 4.39±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
- H413-H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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