2-Bromothioanisole supplier | CasNO.19614-16-5

Name
2-Bromothioanisole
EINECS 243-183-4
CAS No. 19614-16-5
Article Data33
CAS DataBase
Density 1.522
Solubility
Melting Point -24 °C
Formula C₇H₇BrS
Boiling Point 258.8 °C at 760 mmHg
Molecular Weight 203.103
Flash Point 95 °C
Transport Information
Appearance clear yellow liquid
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn; Xi
Synonyms Sulfide,o-bromophenyl methyl (6CI,8CI);1-Bromo-2-methylsulfanylbenzene;1-Bromo-2-methylthiobenzene;2-(Methylthio)bromobenzene;2-(Methylthio)phenylbromide;2-Bromophenyl methyl sulfide;2-Bromothioanisole;Methyl 2-bromophenylsulfide;Methyl o-bromophenyl sulfide;o-Bromo(methylthio)benzene;o-Bromophenyl methyl sulfide;o-Bromothioanisole;
PSA 25.30000
LogP 3.17100

2-Bromothioanisole Specification

The Benzene,1-bromo-2-(methylthio)-, with CAS registry number 19614-16-5, belongs to the following product categories: (1)Miscellaneous; (2)Thioderivates. It has the systematic name of 1-bromo-2-(methylsulfanyl)benzene. This chemical is a kind of clear yellow liquid. What's more, its EINECS is 243-183-4.

Physical properties of Benzene,1-bromo-2-(methylthio)-: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 343.3; (6)ACD/BCF (pH 7.4): 343.3; (7)ACD/KOC (pH 5.5): 2273.2; (8)ACD/KOC (pH 7.4): 2273.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 47.11 cm³; (15)Molar Volume: 133.3 cm³; (16)Polarizability: 18.67×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Enthalpy of Vaporization: 47.64 kJ/mol; (19)Vapour Pressure: 0.0217 mmHg at 25°C.

Uses of Benzene,1-bromo-2-(methylthio)-: it can be used to produce o-bromophenyl methyl sulfoxide. This reaction will need reagents 35 % H₂O₂, AcOH. The reaction time is 12 hour(s) with reaction temperature of 20 ℃. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2-(methylthio)- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1ccccc1SC
(2)InChI: InChI=1/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
(3)InChIKey: ALAQDUSTXPEHMH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
(5)Std. InChIKey: ALAQDUSTXPEHMH-UHFFFAOYSA-N

Product Name

2-Bromothioanisole

2-Bromothioanisole Specification

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