CAS No.4837-01-8,2-BROMOETHYL PHENYL SULFIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4837-01-8
Name:	2-BROMOETHYL PHENYL SULFIDE
Article Data:	31

Formula:	C₈H₉BrS
Molecular Weight:	217.129
Synonyms:	2-Bromoethyl Phenyl Sulfide;2-Bromo-1-phenylthioethane;(2-bromoethyl)(phenyl)sulfane;
EINECS:	225-422-4
Density:	1.44g/cm³
Boiling Point:	261.7 °C at 760 mmHg
Flash Point:	112.1 °C
Solubility:	Insoluble in water.
Hazard Symbols:	R36/38:Irritating to eyes and skin.;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	25.30000
LogP:	3.17360

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Specification

The Benzene,[(2-bromoethyl)thio]-, with the CAS registry number 4837-01-8, is also known as 2-Bromoethyl Phenyl Sulfide and 2-Bromo-1-phenylthioethane. Its EINECS registry number is 225-422-4. This chemical's molecular formula is C₈H₉BrS and molecular weight is 217.13. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromoethylsulfanylbenzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.47; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 255.08; (6)ACD/BCF (pH 7.4): 255.08; (7)ACD/KOC (pH 5.5): 1837.85; (8)ACD/KOC (pH 7.4): 1837.85; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 51.75 cm³; (15)Molar Volume: 150.3 cm³; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 112.1 °C; (19)Enthalpy of Vaporization: 47.93 kJ/mol; (20)Boiling Point: 261.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0185 mmHg at 25 °C.

Preparation of Benzene,[(2-bromoethyl)thio]-: this chemical can be prepared by 2-Phenylsulfanyl-ethanol.

Benzene,[(2-bromoethyl)thio]-l can be prepared by 2-Phenylsulfanyl-ethanol

This reaction needs reagent PBr₃ at temperature of 20 °C. The reaction time is 2 hours. The yield is 88%.

Uses of Benzene,[(2-bromoethyl)thio]-: it is used to produce other chemicals. For example, it is used to produce (2-Nitro-ethylsulfanyl)-benzene.

Benzene,[(2-bromoethyl)thio]- is used to produce (2-Nitro-ethylsulfanyl)-benzene.

The reaction occurs with reagent NaNO₂ and solvents Dimethylsulfoxide, Diethyl ether at temperature of 20 °C. The reaction time is 3 hours. The yield is 71%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCSc1ccccc1
(2) InChI: InChI=1/C8H9BrS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
(3) InChIKey: UEFBOQYLXLEJSM-UHFFFAOYAR