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1,10-Dichlorodecane

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Name

1,10-Dichlorodecane

EINECS 218-489-6
CAS No. 2162-98-3 Density 0.976 g/cm3
PSA 0.00000 LogP 4.58480
Solubility N/A Melting Point 15.6 °C
Formula C10H20Cl2 Boiling Point 284.3 °C at 760 mmHg
Molecular Weight 211.175 Flash Point 108.4 °C
Transport Information UN 3082 Appearance colourless liquid or white solid
Safety 37/39-26-61-60 Risk Codes 38-36/37/38-50/53
Molecular Structure Molecular Structure of 2162-98-3 (1,10-Dichlorodecane) Hazard Symbols IrritantXi,DangerousN
Synonyms

NSC 9484;

Article Data 21

1,10-Dichlorodecane Synthetic route

56757-75-6

1,10-decamethylene glycol dichloroformate

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With N,N-dimethyl-formamide at 130 - 140℃;97%
With hexabutylguanidinium chloride at 120℃; for 4h;97%
112-47-0

1,10-Decanediol

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With pyridine; thionyl chloride for 1h; Heating;83%
With thionyl chloride
With pyridine; thionyl chloride
With thionyl chloride
Multi-step reaction with 2 steps
1: cooling
2: 97 percent / hexabutylguanidinium chloride / 4 h / 120 °C
View Scheme

(5-chloropentyl)zinc bromide

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With Desyl chloride; dichloro[2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II) In tetrahydrofuran at 20℃;72%
111-20-6

1,10-decanedioic acid

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With gallium(III) trichloride; Hexamethyldisiloxane; copper dichloride In 1,2-dichloro-ethane at 60℃; for 5h; Sealed tube; Inert atmosphere;71%
54512-75-3

1-bromo-5-chloropentane

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With dilithium trichlorocuprate; magnesium In tetrahydrofuran; diethyl ether for 0.416667h; Ambient temperature;53%
Multi-step reaction with 2 steps
1: (i) Na, liq. NH3, Fe(NO3)3, (ii) /BRN= 1732341/
2: H2 / Raney-Ni
View Scheme
Multi-step reaction with 2 steps
1: liquid ammonia
2: H2 / Raney-Ni
View Scheme
With pyridine; manganese; trifluoroacetic acid; cobalt(II) bromide In acetonitrile at 50℃; Reagent/catalyst;80 %Chromat.
4224-62-8

6-chlorohexanoic acid

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With methanol; sodium Electrolysis;
With sodium In methanol (electrolysis);
90943-97-8

1,5,5,6,6,10-hexachloro-decane

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: zinc; ethanol
2: palladium/barium sulfate; methanol. ammonia / Hydrogenation
View Scheme
With ammonia; platinum Hydrogenation;
63616-36-4

1,5,6,10-tetrachloro-dec-5-ene

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With Pd-BaSO4; ammonia Hydrogenation;
60274-61-5

1,10-dichloro-dec-4-yne

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With hydrogen; nickel
1129-89-1

cis-cyclododecene

2162-98-3

1,10-dichlorodecane

Conditions
ConditionsYield
With oxygen; ozone 1.) ethanol, r.t.; 2.) ethanol, reflux; Yield given. Multistep reaction;

1,10-Dichlorodecane Specification

The CAS register number of 1,10-Dichlorodecane is 2162-98-3. It also can be called as Decane, 1,10-dichloro- and the IUPAC name about this chemical is 1,10-dichlorodecane. The molecular formula about this chemical is C10H20Cl2 and the molecular weight is 211.17. It belongs to the following product categories which include Building blocks; Alpha,omega-Dichloroalkanes; Alpha,omega-Bifunctional Alkanes; Monofunctional & Alpha,omega-Bifunctional Alkanes; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks and so on. This chemical can be obtained by thionyl chloride chlorination of Sebacic alcohol.

Physical properties about 1,10-Dichlorodecane are: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.43; (4)ACD/LogD (pH 7.4): 5.43; (5)ACD/BCF (pH 5.5): 7935.91; (6)ACD/BCF (pH 7.4): 7935.91; (7)ACD/KOC (pH 5.5): 21523.95; (8)ACD/KOC (pH 7.4): 21523.95; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.449; (11)Molar Refractivity: 58.07 cm3; (12)Molar Volume: 216.3 cm3; (13)Polarizability: 23.02x10-24cm3; (14)Surface Tension: 30.1 dyne/cm; (15)Enthalpy of Vaporization: 50.23 kJ/mol; (16)Boiling Point: 284.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00515 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,10-Bis-chlorformyloxy-decan. This reaction will need reagent DMF. The reaction temperature is 130 - 140 ℃. The yield is about 97%.

Uses of 1,10-Dichlorodecane: it can be used to produce 1-chloro-10-phenoxydecane with phenol at heating. This reaction  will need reagent tetrabutylammonium hydrogen sulfate, 3 M aq. NaOH with reaction time of 16 hours. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is irritating to eyes, respiratory system and skin. This material and its container must be disposed of as hazardous waste. If you want to use it, please avoid release to the environment and refer to special instructions / safety data sheets. When you are using it, wear suitable gloves and eye/face protection. After contact with skin, please wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCCCCCCCCl
(2)InChI: InChI=1/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
(3)InChIKey: RBBNTRDPSVZESY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
(5)Std. InChIKey: RBBNTRDPSVZESY-UHFFFAOYSA-N

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