- Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicalsCarestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J., Chemical Science, 2018, 9(24), 5360-5365
Cas no 62016-93-7 (Pentane, 1-chloro-3-methyl-)
Pentane, 1-chloro-3-methyl- structure
Product Name:Pentane, 1-chloro-3-methyl-
CAS No:62016-93-7
MF:C6H13Cl
MW:120.620421171188
CID:460637
PubChem ID:13162577
Update Time:2025-04-19
Pentane, 1-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentane, 1-chloro-3-methyl-
- 1-CHLORO-3-METHYLPENTANE
- EN300-674088
- FT-0717935
- AKOS006383662
- DTXSID70977553
- 62016-93-7
- SCHEMBL2745292
-
- Inchi: 1S/C6H13Cl/c1-3-6(2)4-5-7/h6H,3-5H2,1-2H3
- InChI Key: NRLWLQUJUTWEJD-UHFFFAOYSA-N
- SMILES: ClCCC(C)CC
Computed Properties
- Exact Mass: 120.07069
- Monoisotopic Mass: 120.0705781g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 35.2
- 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: 3
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.866
- Boiling Point: 125.027°C at 760 mmHg
- Flash Point: 25.01°C
- Refractive Index: 1.412
- PSA: 0
Pentane, 1-chloro-3-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM459532-100mg |
1-chloro-3-methylpentane |
62016-93-7 | 95%+ | 100mg |
$303 | 2023-02-02 | |
| Chemenu | CM459532-250mg |
1-chloro-3-methylpentane |
62016-93-7 | 95%+ | 250mg |
$423 | 2023-02-02 | |
| Chemenu | CM459532-500mg |
1-chloro-3-methylpentane |
62016-93-7 | 95%+ | 500mg |
$714 | 2023-02-02 | |
| Chemenu | CM459532-1g |
1-chloro-3-methylpentane |
62016-93-7 | 95%+ | 1g |
$906 | 2023-02-02 | |
| Enamine | EN300-674088-0.05g |
1-chloro-3-methylpentane |
62016-93-7 | 95% | 0.05g |
$168.0 | 2023-03-11 | |
| Enamine | EN300-674088-0.1g |
1-chloro-3-methylpentane |
62016-93-7 | 95% | 0.1g |
$252.0 | 2023-03-11 | |
| Enamine | EN300-674088-0.25g |
1-chloro-3-methylpentane |
62016-93-7 | 95% | 0.25g |
$361.0 | 2023-03-11 | |
| Enamine | EN300-674088-0.5g |
1-chloro-3-methylpentane |
62016-93-7 | 95% | 0.5g |
$569.0 | 2023-03-11 | |
| Enamine | EN300-674088-1.0g |
1-chloro-3-methylpentane |
62016-93-7 | 95% | 1g |
$0.0 | 2023-06-07 | |
| Enamine | EN300-674088-2.5g |
1-chloro-3-methylpentane |
62016-93-7 | 95% | 2.5g |
$1428.0 | 2023-03-11 |
Pentane, 1-chloro-3-methyl- Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: (Trifluoromethyl)benzene , Cesium carbonate , N-Chloro-N-(1,1-dimethylethyl)-3,5-bis(trifluoromethyl)benzamide Catalysts: Benzoyl peroxide ; rt → 65 °C; 7 h, 65 °C; rt → 65 °C; 17 h, 65 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Bromotrichloromethane , 2769993-47-5 Solvents: Nitromethane ; 5 min, rt; cooled; 24 h, 28 °C
Reference
- Taming the Chlorine Radical: Enforcing Steric Control over Chlorine-Radical-Mediated C-H ActivationGonzalez, Miguel I. ; Gygi, David; Qin, Yangzhong ; Zhu, Qilei ; Johnson, Elizabeth J. ; et al, Journal of the American Chemical Society, 2022, 144(3), 1464-1472
Production Method 3
Reaction Conditions
1.1 Reagents: Carbon tetrachloride , N-(1,1-Dimethylethyl)-N-[(1-phenylethenyl)oxy]-3,5-bis(trifluoromethyl)benzamide Solvents: (Trifluoromethyl)benzene ; 16 h, rt → 60 °C
Reference
- Diversification of aliphatic C-H bonds in small molecules and polyolefins through radical chain transferFazekas, Timothy J. ; Alty, Jill W. ; Neidhart, Eliza K. ; Miller, Austin S. ; Leibfarth, Frank A. ; et al, Science (Washington, 2022, 375(6580), 545-550
Pentane, 1-chloro-3-methyl- Preparation Products
- 3-Bromo-3-methylpentane (25346-31-0)
- 3-(chloromethyl)pentane (4737-41-1)
- Pentane, 2-chloro-3-methyl-, (R*,R*)- (9CI) (53521-23-6)
- 2-bromo-3-methylpentane (62168-41-6)
- 3-(Bromomethyl)pentane (3814-34-4)
- Pentane,3-chloro-3-methyl- (918-84-3)
- 2-chloro-3-methylpentane (24319-09-3)
- Pentane, 2-chloro-3-methyl-, (R*,S*)- (9CI) (53520-46-0)
- Pentane, 1-chloro-3-methyl- (62016-93-7)
- Pentane,1-bromo-3-methyl- (51116-73-5)
Pentane, 1-chloro-3-methyl- Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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