Cas no 38690-76-5 (4-Cyanophenyl 4-heptylbenzoate)
38690-76-5 structure
Product Name:4-Cyanophenyl 4-heptylbenzoate
CAS No:38690-76-5
MF:C21H23NO2
MW:321.41282582283
MDL:MFCD00001817
CID:313566
PubChem ID:87571170
Update Time:2025-04-19
4-Cyanophenyl 4-heptylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-heptyl-, 4-cyanophenyl ester
- 4-Cyanophenyl 4-Heptylbenzoate
- (4-cyanophenyl) 4-heptylbenzoate
- 4-Heptylbenzoic Acid 4-Cyanophenyl Ester
- 4-heptyl-benzoic acid 4-cyanophenyl ester
- p-Cyanophenyl p-heptylbenzoate
- Benzoic acid, 4-heptyl-, 4-cyanophenyl ester
- 4-Cyanophenyl4-Heptylbenzoate
- 4'-N-Heptylbenzoic acid 4-cyanophenyl ester
- C21H23NO2
- 4'-Cyanophenyl 4-heptylbenzoate
- ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
- 4-Heptylbenzoic acid 4-cyanophenyl
- STK031994
- SBB059181
- MCU
- O139
- 4-Cyanophenyl 4-heptylbenzoate
-
- MDL： MFCD00001817
- Inchi： 1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
- InChI Key： ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1)C(C1C=CC(=CC=1)CCCCCCC)=O
Computed Properties
- Exact Mass: 392.17100
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 409
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 6.6
- Topological Polar Surface Area: 50.1
Experimental Properties
- Color/Form: crystal
- Density: 1.1164 (rough estimate)
- Melting Point: 44-45?°C(lit.)
- Boiling Point: 460.16°C (rough estimate)
- Flash Point: >230?°F
- Refractive Index: 1.5614 (estimate)
- PSA: 41.57000
- LogP: 5.39680
- Solubility: Not determined
4-Cyanophenyl 4-heptylbenzoate Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-Cyanophenyl 4-heptylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019096000-25g |
4-Cyanophenyl 4-heptylbenzoate |
38690-76-5 | 95% | 25g |
$510.58 | 2023-09-02 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S10075-20mg |
4-Cyanophenyl 4-heptylbenzoate |
38690-76-5 | 20mg |
￥378.0 | 2021-09-08 | ||
| TRC | C998443-10mg |
4-Cyanophenyl 4-Heptylbenzoate |
38690-76-5 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C998443-50mg |
4-Cyanophenyl 4-Heptylbenzoate |
38690-76-5 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C998443-100mg |
4-Cyanophenyl 4-Heptylbenzoate |
38690-76-5 | 100mg |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C862138-1g |
4-Cyanophenyl 4-Heptylbenzoate |
38690-76-5 | ≥98%(GC) | 1g |
￥279.00 | 2022-09-02 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | H0810-1G |
4-Cyanophenyl 4-Heptylbenzoate |
38690-76-5 | >98.0%(GC) | 1g |
￥215.00 | 2024-04-16 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | H0810-5G |
4-Cyanophenyl 4-Heptylbenzoate |
38690-76-5 | >98.0%(GC) | 5g |
￥280.00 | 2024-04-16 | |
| eNovation Chemicals LLC | D760886-5g |
4-Cyanophenyl 4-heptylbenzoate |
38690-76-5 | 98.0% | 5g |
$180 | 2024-06-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | H0810-1g |
4-Cyanophenyl 4-heptylbenzoate |
38690-76-5 | 98.0%(GC) | 1g |
￥385.0 | 2022-06-10 |
4-Cyanophenyl 4-heptylbenzoate Related Literature
-
George W. Gray,Stephen M. Kelly J. Mater. Chem. 1999 9 2037
-
Vanessa Jirón,Erick Castellón Phys. Chem. Chem. Phys. 2022 24 7788
-
Di Chao,Tong-Xin Liu,Nana Ma,Pengling Zhang,Zheng Fu,Jinliang Ma,Qingfeng Liu,Fengjin Zhang,Zhiguo Zhang,Guisheng Zhang Chem. Commun. 2016 52 982
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