4-(Methylthio)benzyl chloride supplier

Name
4-(METHYLTHIO)BENZYL CHLORIDE
EINECS 212-870-0
CAS No. 874-87-3
Article Data30
CAS DataBase
Density 1.16 g/cm³
Solubility It hydrolyzes in water.
Melting Point
Formula C₈H₉ClS
Boiling Point 262.3 °C at 760 mmHg
Molecular Weight 172.678
Flash Point 110.5 °C
Transport Information UN 1760
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C,Xi
Synonyms Sulfide, a-chloro-p-tolyl methyl (7CI,8CI);1-Chloromethyl-4-methylsulfanylbenzene;1-Chloromethyl-4-methylthiobenzene;4-(Chloromethyl)thioanisole;4-(Methylsulfanyl)benzyl chloride;4-(Methylthio)benzyl chloride;p-(Methylthio)benzyl chloride;
PSA 25.30000
LogP 3.14730

4-(Methylthio)benzyl chloride Specification

This chemical is called Benzene, 1-(chloromethyl)-4-(methylthio)-, and its systematic name is 1-(chloromethyl)-4-(methylsulfanyl)benzene. With the molecular formula of C₈H₉ClS, its molecular weight is 172.68. The CAS registry number of this chemical is 874-87-3. Additionally, its product categories are Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds.

Other characteristics of the Benzene, 1-(chloromethyl)-4-(methylthio)- can be summarised as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 107.01; (6)ACD/BCF (pH 7.4): 107.01; (7)ACD/KOC (pH 5.5): 986.91; (8)ACD/KOC (pH 7.4): 986.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 48.85 cm³; (15)Molar Volume: 148 cm³; (16)Polarizability: 19.36×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 110.5 °C; (20)Enthalpy of Vaporization: 47.99 kJ/mol; (21)Boiling Point: 262.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCc1ccc(SC)cc1
2.InChI: InChI=1/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
3.InChIKey: VWVZFHRDLPHBEG-UHFFFAOYAI

Product Name

4-(METHYLTHIO)BENZYL CHLORIDE

4-(Methylthio)benzyl chloride Specification

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