Basic information
- CAS
34128-02-4- Standard SMILES
CCOc1ccc(N=Cc2ccc(C#N)cc2)cc1- InChIKey
WTTZYFPFXIZAOS-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 4'-Cyanobenzylidene-4-ethoxyaniline
- IUPAC
- 4-[(4-ethoxyphenyl)iminomethyl]benzonitrile
- English name
- 4'-CYANOBENZYLIDENE-4-ETHOXYANILINE
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
4'-Cyanobenzylidene-4-ethoxyanilineRefChem:506080679-602-634128-02-44-(((4-Ethoxyphenyl)imino)methyl)benzonitrilep-(p-Ethoxyphenyliminomethyl)benzonitrile4-[(4-ethoxyphenyl)iminomethyl]benzonitrileMFCD000595854-{[(4-ethoxyphenyl)imino]methyl}benzonitrile4'Cyanobenzylidene-4-ethoxyaniline2OPiCPSCHEMBL11675092
Show more names
N-(P-CYANOBENZYLIDENE)-P-ETHOXYANILINE4'-Cyanobenzylidene-4-ethoxyaniline>N-(4-Cyanobenzylidene)-4-ethoxyaniline4-(4-Ethoxyphenyliminomethyl)benzonitrileBenzonitrile,4-[[(4-ethoxyphenyl)imino]methyl]-4′-Cyanobenzylidene-4-ethoxyaniline, CAS 34128-02-4
SCHEMBL12416678DTXSID30346620WTTZYFPFXIZAOS-LDADJPATSA-NAKOS003408212SY0547744'-Cyanobenzylidene-4-ethoxyaniline, 98%CS-0182169F870488
Database identifiers
- CAS
34128-02-4- PubChem CID
- 613590
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
- Melting point
- 112 °C · 112 °C(Solv: benzene (71-43-2))
- 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
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 2.41 · 2.41±0.50(Predicted)
- color
- White to Light yellow to Green
- CAS DataBase Reference
- 34128 · 34128-02-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
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
- hs_code
- 2926.90.4801
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Suppliers37 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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