Cas no 36903-89-6 (Octane,4-chloro-4-methyl-)
Octane,4-chloro-4-methyl- structure
Product Name:Octane,4-chloro-4-methyl-
CAS No:36903-89-6
MF:C9H19Cl
MW:162.700162172318
CID:296520
PubChem ID:19805060
Update Time:2025-04-19
Octane,4-chloro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Octane,4-chloro-4-methyl-
- 4-CHLORO-4-METHYLOCTANE
- 4-Chlor-4-methyl-octan
- 4-chloro-4-methyl-octane
- Octane,4-chloro-4-methyl
- AKOS006332296
- 36903-89-6
- DTXSID70958105
- SCHEMBL9640634
-
- Inchi： 1S/C9H19Cl/c1-4-6-8-9(3,10)7-5-2/h4-8H2,1-3H3
- InChI Key： UFUKXCKHTRKNJD-UHFFFAOYSA-N
- SMILES： ClC(C)(CCC)CCCC
Computed Properties
- Exact Mass: 162.11800
- Monoisotopic Mass: 162.1175283g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 80.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.8723
- Melting Point: -39.4°C (estimate)
- Boiling Point: 203.25°C (estimate)
- Flash Point: 59.9°C
- Refractive Index: 1.4360
- PSA: 0.00000
- LogP: 3.97420
Octane,4-chloro-4-methyl- Customs Data
- HS CODE：2903199000
- Customs Data：
China Customs Code:
2903199000Overview:
2903199000 Saturated chlorinated derivatives of other acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
Octane,4-chloro-4-methyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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