CAS No.112-29-8,1-Bromodecane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	112-29-8
Name:	1-Bromodecane
Article Data:	49

Formula:	C₁₀H₂₁Br
Molecular Weight:	221.181
Synonyms:	1-Bromodecane;n-Decyl bromide;NSC 8780;AI3-28586;AC1L1QFG;
EINECS:	203-955-3
Density:	1.06 g/cm³
Melting Point:	-29.6 °C
Boiling Point:	240.96 °C at 760 mmHg
Flash Point:	94.444 °C
Solubility:	slightly soluble in water, soluble in ethanol, ethyl ether and chloroform
Appearance:	colorless to light yellow liquid
Risk Codes:	36/37/38
Safety:	23-24/25
PSA:	0.00000
LogP:	4.52200

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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 MgBr₂and 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.