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16296-79-0

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Basic Information
CAS No.: 16296-79-0
Name: 5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE
Molecular Structure:
Molecular Structure of 16296-79-0 (5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE)
Formula: C9H4ClNS
Molecular Weight: 193.656
Synonyms: 5-Chloro-1-benzothiophene-3-carbonitrile;
Density: 1.42 g/cm3
Melting Point: 121 °C
Boiling Point: 347.9 °C at 760 mmHg
Flash Point: 164.2 °C
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Risk Codes: 20/21/22
Safety: 22-36/37/39
PSA: 52.03000
LogP: 3.42638
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  • 5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE

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    16296-79-0

    5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 3.0-3.0

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  • 5-chloro-1-benzothiophene-3-carbonitrile

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    16296-79-0

    5-chloro-1-benzothiophene-3-carbonitrile

    Min.Order: 10 Milligram

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  • Benzo[b]thiophene-3-carbonitrile,5-chloro-

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    16296-79-0

    Benzo[b]thiophene-3-carbonitrile,5-chloro-

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  • 2-(2-Oxotetrahydrofuran-3-yl)-1H-isoindole-1,3(2H)-dione

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    16296-79-0

    2-(2-Oxotetrahydrofuran-3-yl)-1H-isoindole-1,3(2H)-dione

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    high qualityAppearance:white crystalline powder Storage:Sealed, dry, microtherm , avoid light and smell. Package:According to the demand of customer Application:Organic synthesis Transportation:by air or by sea

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  • 5-Chloro-1-benzothiophene-3-carbonitrile, 97%

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    16296-79-0

    5-Chloro-1-benzothiophene-3-carbonitrile, 97%

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  • 5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE

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    16296-79-0

    5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE

    Min.Order: 0

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the 5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE, CAS:16296-79-0 with the most competitive pr

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Specification

The CAS registry number of Benzo[b]thiophene-3-carbonitrile,5-chloro- is 16296-79-0. This chemical's molecular formula is C9H4ClNS and molecular weight is 193.6528. What's more, its systematic name is called 5-Chloro-1-benzothiophene-3-carbonitrile.

Physical properties about Benzo[b]thiophene-3-carbonitrile,5-chloro- are: (1)ACD/LogP: 4.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.21; (5)ACD/BCF (pH 5.5): 935.25; (6)ACD/BCF (pH 7.4): 935.25; (7)ACD/KOC (pH 5.5): 4657.89; (8)ACD/KOC (pH 7.4): 4657.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 51.84 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 20.55×10-24 cm3; (17)Surface Tension: 61.7 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 164.2 °C; (20)Enthalpy of Vaporization: 59.22 kJ/mol; (21)Boiling Point: 347.9 °C at 760 mmHg; (22)Vapour Pressure: 5.23E-05 mmHg at 25 °C; (23)Melting Point: 121 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful if inhalation, in contact with skin or swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. Also, you should not breathe dust.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(scc1C#N)cc2
(2) InChI: InChI=1/C9H4ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H
(3) InChIKey: SXWOPXJSURXXCM-UHFFFAOYAC