Cas no 57214-71-8 (Octane, chloro-)
Octane, chloro- structure
Product Name:Octane, chloro-
Octane, chloro- Chemical and Physical Properties
Names and Identifiers
-
- Octane, chloro-
- Chlorooctane
- 1-chlorooctane
- Octylchloride
- EN300-19405
- CAS-111-85-3
- Tox21_302948
- Octane, 1-chloro-
- 111-85-3
- 1-Chlorooctane, 99%
- D97411
- 1-chloranyloctane
- Octyl chloride
- F8889-6590
- 1219803-93-6
- NSC5406
- CHEMBL158445
- DTXCID501543
- EINECS 203-915-5
- W-108666
- SCHEMBL230465
- EC 203-915-5
- 1-CHLOROOCTANE [HSDB]
- NSC-5406
- Capryl chloride
- BP-30110
- NCGC00259264-01
- FT-0607655
- 1-Chlorooctane; 1-Octyl chloride; Capryl chloride; NSC 5406; Octyl chloride; n-Octyl chloride
- DTXSID0021543
- AKOS005721018
- Tox21_201715
- VS-02957
- MFCD00001022
- UNII-E1047328LO
- 57214-71-8
- Capryloylchloride
- 1-Octyl chloride
- HSDB 5551
- 1-Chlorooctane, analytical standard
- NS00006483
- n-Octyl chloride
- 1-chloroctane
- NCGC00249102-01
- A802422
- E1047328LO
- InChI=1/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H
- NCGC00256592-01
- NSC 5406
- 1-Chloro-octane
- Q27276728
-
- Inchi： 1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChI Key： CNDHHGUSRIZDSL-UHFFFAOYSA-N
- SMILES： ClCCCCCCCC
Computed Properties
- Exact Mass: 148.10201
- Monoisotopic Mass: 148.101878
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 6
- Complexity: 43.8
- 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: 0
Experimental Properties
- Density: 0.864
- Melting Point: -57.8 DEG C
- Boiling Point: 181.9°Cat760mmHg
- Flash Point: 57.8°C
- PSA: 0
- LogP: Log P= 4.73
Octane, chloro- Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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