Basic information
- CAS
71352-36-8- Standard SMILES
CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1- InChIKey
IPGHZWGLMSBNAV-UHFFFAOYSA-N- Molecular formula
- C25H29NO2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.21982917
Names & identifiers
- Preferred name
- p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate
- IUPAC
- (4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate
- English name
- 4-CYANOPHENYL 4-(4-PENTYLCYCLOHEXYL)BENZOATE
- Molecular formula
- C25H29NO2
- Molecular weight
- 0
Names & synonyms
p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoateRefChem:858048277-085-872928-55-34-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate(4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate4-CYANOPHENYL 4-(4-PENTYLCYCLOHEXYL)BENZOATEMFCD09750946Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-cyanophenyl ester71352-36-8313492-66-95cHBzoCP
Show more names
EINECS 277-085-84-CYANOPHENYL 4-[(1S,4R)-4-PENTYLCYCLOHEXYL]BENZOATE4-Cyanophenyl 4-trans-(4-pentylcyclohexyl)benzoateSCHEMBL9499273SCHEMBL9499278DTXSID80888323DTXSID90991695IPGHZWGLMSBNAV-UHFFFAOYSA-N
Database identifiers
- CAS
71352-36-8、72928-55-3- PubChem CID
- 175308
- DTXSID
DTXSID90991695- EC Number
- 277-085-8
- Nikkaji
- J296.418J、J909.090H
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-cyanophenyl ester: ACTIVE
Suppliers17 total
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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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