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1-Bromo decane

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Name 1-Bromo decane EINECS 203-955-3
CAS No. 112-29-8 Density 1.06 g/cm3
Solubility slightly soluble in water, soluble in ethanol, ethyl ether and chloroform Melting Point -29.6 °C
Formula C10H21Br Boiling Point 240.96 °C at 760 mmHg
Molecular Weight 221.18 Flash Point 94.444 °C
Transport Information Appearance colorless to light yellow liquid
Safety 23-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 112-29-8 (1-Bromo decane) Hazard Symbols
Synonyms

1-Bromodecane;n-Decyl bromide;NSC 8780;AI3-28586;AC1L1QFG;

 

Specification

The 1-Bromo decane with CAS registry number of 112-29-8 is also known as 1-Decyl bromide. The IUPAC name and product name are the same. It belongs to product categories of Bromine Compounds; Alkyl Bromides; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS registry number is 203-955-3. In addition, the formula is C10H21Br and the molecular weight is 221.18. This chemcial should be stored in sealed containers in cool place and away from alkali and oxidizing agents.

Physical properties about 1-Bromo decane are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.885; (4)ACD/LogD (pH 7.4): 5.885; (5)ACD/BCF (pH 5.5): 17487.693; (6)ACD/BCF (pH 7.4): 17487.693; (7)ACD/KOC (pH 5.5): 37890.871; (8)ACD/KOC (pH 7.4): 37890.871; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 56.109 cm3; (14)Molar Volume: 206.785 cm3; (15)Surface Tension: 29.554 dyne/cm; (16)Density: 1.07 g/cm3; (17)Flash Point: 94.444 °C; (18)Enthalpy of Vaporization: 45.852 kJ/mol; (19)Boiling Point: 240.96 °C at 760 mmHg; (20)Vapour Pressure: 0.057 mmHg at 25 °C.

Preparation of 1-Bromo decane: it is prepared by reaction of (decane-1-selenonyl)-benzene. The reaction needs reagent MgBr2 and solvent diethyl ether at the temperature of 0 °C for 30 minutes. The yield is about 81%.

1-Bromo decane is prepared by reaction of (decane-1-selenonyl)-benzene.

Uses of 1-Bromo decane: it is used to produce decanal. The reaction occurs with reagent trimethylamine N-oxide and solvent dimethylsulfoxide at ambient temperature for 5 hours. The yield is about 81%.

1-Bromo decane is used to produce decanal.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, avoid contact with skin and eyes and do not breathe gas/fumes/vapour/spray.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCCCCCBr
2. InChI: InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
3. InChIKey: MYMSJFSOOQERIO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 4200mg/m3 (4200mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 4070mg/kg (4070mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.

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