Cas no 70610-87-6 (2-BROMOOCTANOIC ACID)
2-BROMOOCTANOIC ACID structure
Product Name:2-BROMOOCTANOIC ACID
CAS No:70610-87-6
MF:C8H15BrO2
MW:223.107502222061
CID:826631
PubChem ID:552003
Update Time:2025-04-19
2-BROMOOCTANOIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 2-BROMOOCTANOIC ACID
- CYCLOPROPYLCARBONYL-1-PIPERAZINAMIDE HYDROCHLORIDE
- MFCD00004219
- InChI=1/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11
- BS-43962
- 70610-87-6
- SCHEMBL375050
- J-016340
- 2623-82-7
- Octanoic acid,2-bromo-
- Octanoic acid, 2-bromo-, (A+/-)-
- 2-BROMOOCTANOICACID
- 2-bromo-octanoic acid
- FT-0634409
- AKOS015893911
- 2-Bromooctanoic acid #
- NS00047992
- CS-0328199
- EN300-7721254
- 2-Bromocaprylic acid
- B0627
- 2-Bromo-n-octanoic Acid
- 2-Bromooctanoic acid, 97%
- Octanoic acid, 2-bromo-
-
- Inchi： 1S/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
- InChI Key： GTGTXZRPJHDASG-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)CCCCCC
Computed Properties
- Exact Mass: 222.02554g/mol
- Monoisotopic Mass: 222.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 115
- 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: 3.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: 。
- Density: 1.278?g/mL?at 25?°C(lit.)
- Boiling Point: 140?°C5?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.471(lit.)
- Solubility: 。
2-BROMOOCTANOIC ACID Security Information
- Hazardous Material transportation number：UN 3265 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： 26-36/37/39-45
- FLUKA BRAND F CODES：8-10
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：III
- Risk Phrases：34
- Packing Group：III
2-BROMOOCTANOIC ACID Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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