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262-20-4

Basic Information
CAS No.: 262-20-4
Name: Phenoxathiin
Article Data: 41
Molecular Structure:
Molecular Structure of 262-20-4 (Phenoxathiin)
Formula: C12H8OS
Molecular Weight: 200.261
Synonyms: Dibenzothioxin;NSC 464;Phenothioxin;Phenoxathiane;Phenoxthin;RJC 03297;
EINECS: 205-975-8
Density: 1.279 g/cm3
Melting Point: 52-56 °C(lit.)
Boiling Point: 312.355 °C at 760 mmHg
Flash Point: 142.707 °C
Appearance: light yellow solid
Risk Codes: 36/37/38
Safety: 24/25
PSA: 34.53000
LogP: 3.94350
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    Phenoxathiin

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    Package:50KG;25KG;5kg;500g;100g Application:Pharmaceutical intermediates; advanced chemical intermediates Transportation:by sea or by air

    ■ Company Business Shanghai Rainbow Chemicals Co., Ltd., an emerging hi-tech enterprise, specializes in the research, development, production and sale of fine chemical industrial a

  • Shanghai Rainbow Chemistry Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-21-64968086-5815/5812

    Address:3rd floor, Building 7, 251 Faladi Road, Zhangjiang Hi-Tech Park, Pudong District, Shanghai, P.R. China

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  • Phenoxathiin

  • Casno:

    262-20-4

    Phenoxathiin

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    With about ten years experiences in the field of pharmaceutical chemicals, Yierdechem has established solid business cooperation relationships with many large companys worldwide.As a leading supplier of API and pharmaceutical intermediates, holds its

    yierdechem is a young and potential team, with about ten years experiences in the field of pharmaceutical intermediate and fine chemicals, yierdechem has established solid business

  • Hangzhou Yierdechem Co. Ltd

    China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+86-571-86904883

    Address:903,zhijiang Minglou, Xiasha EDA, Hangzhou City 310018,P.R.China

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  • 262-20-4

  • Casno:

    262-20-4

    262-20-4

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well

    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu P

  • Nanjing Chemlin Chemical Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-25-83697070

    Address:Rm.902 Longyin Plaza, No. 217 Zhongshan Rd.(N) Nanjing 210009,China

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Phenoxathrin is an organic compound with the formula C12H8OS. The systematic name of this chemical is phenoxathiine. With the CAS registry number 262-20-4, it is also named as 1,4-Dibenzothioxine. The product's categories are Heterocyclic Building Blocks; Others; S-Containing. Besides, it is a light yellow solid, which is used as organic reagents and pharmaceutical intermediates.

Physical properties about Phenoxathrin are: (1)ACD/LogP: 4.54; (2)ACD/LogD (pH 5.5): 4.54; (3)ACD/LogD (pH 7.4): 4.54; (4)ACD/BCF (pH 5.5): 1671.53; (5)ACD/BCF (pH 7.4): 1671.53; (6)ACD/KOC (pH 5.5): 7058.35; (7)ACD/KOC (pH 7.4): 7058.35; (8)#H bond acceptors: 1; (9)Polar Surface Area: 34.53 Å2; (10)Index of Refraction: 1.676; (11)Molar Refractivity: 58.95 cm3; (12)Molar Volume: 156.5 cm3; (13)Polarizability: 23.37×10-24cm3; (14)Surface Tension: 55.2 dyne/cm; (15)Density: 1.278 g/cm3; (16)Flash Point: 142.7 °C; (17)Enthalpy of Vaporization: 53.13 kJ/mol; (18)Boiling Point: 312.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000977 mmHg at 25°C.

Preparation: this chemical can be prepared by diphenyl ether. This reaction will need reagent aluminium chloride and sulfur. The reaction temperature is 60 - 70 °C.



Uses of Phenoxathrin: it can be used to produce phenoxathiin 10-oxide. It will need reagent SO2Cl2 and solvent CH2Cl2 with reaction temperature of 0 - 5 °C. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c3c(Sc2c1cccc2)cccc3
(2)InChI: InChI=1/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
(3)InChIKey: GJSGGHOYGKMUPT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
(5)Std. InChIKey: GJSGGHOYGKMUPT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,