Cas no 67229-01-0 (Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI))
67229-01-0 structure
Product Name:Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI)
CAS No:67229-01-0
MF:C18H32Br2O4
MW:472.252285003662
CID:528860
PubChem ID:300813
Update Time:2025-04-19
Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI)
- 9,10-dibromooctadecanedioic acid
- AC1L6X46
- NSC176175
- threo-9,10-Dibrom-hecadecan-dicarbonsaeure
- NSC-176175
- 67229-01-0
- DTXSID90306422
-
- Inchi: 1S/C18H32Br2O4/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16H,1-14H2,(H,21,22)(H,23,24)
- InChI Key: BIDPEIKMNSIVES-UHFFFAOYSA-N
- SMILES: BrC(CCCCCCCC(=O)O)C(CCCCCCCC(=O)O)Br
Computed Properties
- Exact Mass: 470.06676
- Monoisotopic Mass: 470.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 305
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.38
- Boiling Point: 555.1°Cat760mmHg
- Flash Point: 289.5°C
- Refractive Index: 1.519
- PSA: 74.6
- LogP: 6.14400
Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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