Cas no 3007-95-2 (1-Naphthalenecarboxylicacid, butyl ester)
3007-95-2 structure
Product Name:1-Naphthalenecarboxylicacid, butyl ester
CAS No:3007-95-2
MF:C15H16O2
MW:228.286344528198
CID:313132
PubChem ID:246092
Update Time:2025-04-19
1-Naphthalenecarboxylicacid, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylicacid, butyl ester
- butyl naphthalene-1-carboxylate
- AC1L6HBI
- AC1Q66WP
- AR-1I1123
- butyl 1-naphthoate
- CTK4G4373
- naphthalene-1-carboxylic acid butyl ester
- n-butyl 1-naphthoate
- n-Butyl-1-naphthoat
- NSC58679
- SureCN6904320
- 3007-95-2
- NSC-58679
- DTXSID10289046
- SCHEMBL6904320
-
- Inchi： 1S/C15H16O2/c1-2-3-11-17-15(16)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3
- InChI Key： YCURFOQQPNHZAO-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C2C=CC=CC=12)=O)CCCC
Computed Properties
- Exact Mass: 228.11508
- Monoisotopic Mass: 228.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 249
- 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
- XLogP3: 4.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.082
- Boiling Point: 347.3°C at 760 mmHg
- Flash Point: 154.2°C
- Refractive Index: 1.575
- PSA: 26.3
- LogP: 3.79670
1-Naphthalenecarboxylicacid, butyl ester Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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