4-Cyanophenyl 4-(3-butenyloxy)benzoate
Basic information
- CAS
114482-57-4- Standard SMILES
C=CCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1- InChIKey
XGRKLNHEYFRXFW-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- 4-Cyanophenyl 4-(3-butenyloxy)benzoate
- IUPAC
- (4-cyanophenyl) 4-but-3-enoxybenzoate
- English name
- 4-(3-BUTENYLOXY)BENZOIC ACID 4'-CYANOPHENYL ESTER
- Molecular formula
- C18H15NO3
- Molecular weight
- 293.32
Names & synonyms
114482-57-44-Cyanophenyl 4-(3-butenyloxy)benzoateDTXSID90344900RefChem:522250DTXCID60295975678-017-34-cyanophenyl 4-(but-3-en-1-yloxy)benzoate4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester(4-cyanophenyl) 4-but-3-enoxybenzoateMFCD00191384Benzoic acid, 4-(3-buten-1-yloxy)-, 4-cyanophenyl ester4-(3-BUTENYLOXY)BENZOIC ACID 4/'-CYANOPHENYL ESTER
Show more names
Butenyloxybenzoicacidcyanophenylester4-Cyanophenyl 4-(3-Butenyloxy)benzoate >4-(3-BUTENYLOXY)BENZOIC ACID 4-CYANOPHENYL ESTERBenzoic acid,4-(3-buten-1-yloxy)-, 4-cyanophenyl ester4-(3-BUTENYLOXY)BENZOIC ACID 4''-CYANOPHENYL ESTER 96%
BeOBzoCB4-(3-Butenyloxy)benzoic acid 4'-cyanophenyl esterp-Cyanophenyl p-(3-butenyloxy)benzoateSCHEMBL19460818XGRKLNHEYFRXFW-UHFFFAOYSA-AKOS015839556AS-69874SY054510
Database identifiers
- CAS
114482-57-4- PubChem CID
- 600247
- DTXSID
DTXSID90344900- EC Number
- 678-017-3
- Nikkaji
- J534.019E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 84 °C · 84 °C
- Boiling point
- 472.632 · 472.632±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.193 · 1.193±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- almost transparency in hot Methanol
- form
- powder to crystal
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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