CAS No.4521-31-7,2-MERCAPTOBENZYL ALCOHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4521-31-7
Name:	2-MERCAPTOBENZYL ALCOHOL
Article Data:	34

Formula:	C₇H₈OS
Molecular Weight:	140.206
Synonyms:	Benzylalcohol, o-mercapto- (7CI,8CI);(2-Mercaptophenyl)methanol;2-(Hydroxymethyl)benzenethiol;2-(Hydroxymethyl)thiophenol;2-Mercaptobenzenemethanol;2-Mercaptobenzyl alcohol;2-Sulfanylbenzenemethanol;Thiosalicyl alcohol;o-(Hydroxymethyl)benzenethiol;o-Mercaptobenzyl alcohol;
EINECS:	-0
Density:	1.21 g/cm³
Melting Point:	31-32 °C(lit.)
Boiling Point:	276.5 °C at 760 mmHg
Flash Point:	121 °C
Hazard Symbols:	T, Xi
Risk Codes:	41
Safety:	26-39
Transport Information:	UN 2811
PSA:	59.03000
LogP:	1.46760

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Specification

The CAS registry number of 2-Mercaptobenzyl alcohol is 4521-31-7. The IUPAC name is (2-sulfanylphenyl)methanol. In addition, the molecular formula is C₇H₈OS and the molecular weight is 140.20. It is also called Benzenemethanol,2-mercapto-. What's more, it belongs to the classes of Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans. What's more, it should be stored in sealed container, and placed in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 5.6; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 116.58; (7)ACD/KOC (pH 7.4): 15.69; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 34.53 Å²; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 40.87 cm³; (14)Molar Volume: 115.8 cm³; (15)Polarizability: 16.2 ×10^-24cm³; (16)Surface Tension: 50.8 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 121 °C; (19)Enthalpy of Vaporization: 54.4 kJ/mol; (20)Boiling Point: 276.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00231 mmHg at 25°C.

Preparation of 2-Mercaptobenzyl alcohol: it can be prepared by 2-Methylthio-benzylalkohol. This reaction will need reagent CH₃SeNa and solvent hexamethylphosphoric acid triamide. The reaction time is 8 hours by heating. The yield is about 58%.

2-Mercaptobenzyl alcohol can be prepared by 2-Methylthio-benzylalkohol.

Uses of 2-Mercaptobenzyl alcohol: it can react with 4-acetoxy-azetidin-2-one to get 4-(2-hydroxymethylthio)azetidin-2-one. This reaction will need reagent NaOEt and solvent H₂O. The reaction time is 2 hours at reaction temperature of 0 °C. The yield is about 70%.

2-Mercaptobenzyl alcohol can react with 4-acetoxy-azetidin-2-one to get 4-(2-hydroxymethylthio)azetidin-2-one

When you are using this chemical, please be cautious about it as the following:
This chemical has risk of serious damage to eyes. When you are using it, wear eye/face protection. In case of 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: OCc1ccccc1S
(2)InChI: InChI=1/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
(3)InChIKey: FYWFCRHZXORPFH-UHFFFAOYAZ