Basic information
- CAS
24742-30-1- Standard SMILES
CCOc1ccc(C=Nc2ccc(C#N)cc2)cc1- InChIKey
YFZISFITJTVAET-LDADJPATSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 4-((4-Ethoxybenzylidene)amino)benzonitrile
- IUPAC
- 4-[(4-ethoxyphenyl)methylideneamino]benzonitrile
- English name
- 4'-Ethoxybenzylidene-4-cyanoaniline
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
4-((4-Ethoxybenzylidene)amino)benzonitrile4-[(4-ETHOXYBENZYLIDENE)AMINO]BENZONITRILERefChem:509477246-445-624742-30-14'-Ethoxybenzylidene-4-cyanoanilinep-Ethoxybenzylidene p-cyanoaniline4-Ethoxybenzylidene-4-cyanoaniline4-[(4-ethoxyphenyl)methylideneamino]benzonitrileMFCD00043561(E)-4-((4-Ethoxybenzylidene)amino)benzonitrileN-(p-Ethoxybenzylidene)-p-aminobenzonitrile
Show more names
Einecs 246-445-6TIMTEC-BB SBB008340N-(p-Ethoxybenzylidene)-p-cyanoaniline4'-Ethoxybenzylidene-4-cyanoaniline>P-ETHOXYBENZYLIDENE P-AMINOBENZONITRILE4'-ETHOXYBENZYLIDENE-4-CYANOANILINE 98+%
Benzonitrile, 4-[(E)-[(4-ethoxyphenyl)methylene]amino]-4-[(E)-[(4-ethoxyphenyl)methylidene]amino]benzonitrileBenzonitrile, 4-((E)-((4-ethoxyphenyl)methylene)amino)-4-([(E)-(4-Ethoxyphenyl)methylidene]amino)benzonitrile4-{(E)-[(4-Ethoxyphenyl)methylidene]amino}benzonitrile4-{[(E)-(4-ethoxyphenyl)methylidene]amino}benzonitrile4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]benzenecarbonitrile4-Ethoxybenzal-4'-cyanoaniline
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 429.9 · 429.9±30.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.41 · 2.41±0.50(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- EPA Substance Registry System
- 4 · Benzonitrile, 4-[(E)-[(4-ethoxyphenyl)methylene]amino]- (24742-30-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315
- 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]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4-[(E)-[(4-ethoxyphenyl)methylene]amino]-: INACTIVE
Suppliers30 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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