3-BIPHENYL ISOTHIOCYANATE

Product Name: 3-BIPHENYL ISOTHIOCYANATE
CAS No.: 1510-25-4
Chemical Name: 3-BIPHENYL ISOTHIOCYANATE
Synonyms: 3-BIPHENYL ISOTHIOCYANATE;3-Biphenyl isothiocyate, 98%;3-Isothiocyanato-1,1'-biphenyl;3-Isothiocyanato-1,1’-biphenyl;1,1'-Biphenyl, 3-isothiocyanato-
CBNumber: CB7811511
Molecular Formula: C13H9NS
Formula Weight: 211.28
MOL File: Mol file

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3-BIPHENYL ISOTHIOCYANATE Property

Boiling point:: 150℃/1mm
Density: 1.1424 (rough estimate)
refractive index: 1.5700 (estimate)
storage temp.: 2-8°C
form: solid
Water Solubility: 6.339mg/L(25 ºC)
InChI: 1S/C13H9NS/c15-10-14-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H
InChIKey: YASUKDIZQBZXRW-UHFFFAOYSA-N
SMILES: S=C=Nc1cccc(c1)-c2ccccc2

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Safety

Hazard Codes: Xn,N
Risk Statements: 20/21/22-37/38-41-50/53
Safety Statements: 26-36/37/39-60-61
WGK Germany: WGK 3
HazardClass: IRRITANT-HARMFUL
HS Code: 2930909899
Storage Class: 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
STOT SE 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

SynQuest Laboratories

Product number: 7668-1-02
Product name: 3-Biphenylisothiocyanate
Purity: 98%
Packaging: 250mg
Price: $67
Updated: 2021/12/16

Matrix Scientific

Product number: 056897
Product name: 3-Biphenyl isothiocyanate
Purity: 98%
Packaging: 1g
Price: $134
Updated: 2021/12/16

SynQuest Laboratories

Product number: 7668-1-02
Product name: 3-Biphenylisothiocyanate
Purity: 98%
Packaging: 1g
Price: $135
Updated: 2021/12/16

AK Scientific

Product number: 9339DA
Product name: 3-Isothiocyanato-1,1'-biphenyl
Packaging: 250mg
Price: $313
Updated: 2021/12/16

Matrix Scientific

Product number: 056897
Product name: 3-Biphenyl isothiocyanate
Purity: 98%
Packaging: 5g
Price: $413
Updated: 2021/12/16

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3-BIPHENYL ISOTHIOCYANATE Chemical Properties,Usage,Production

Synthesis

2243-47-2

6160-65-2

1510-25-4

The general procedure for the synthesis of 3-isothiocyanato-1,1'-biphenyl from 3-aminobiphenyl and N,N'-thiocarbonyldiimidazole was as follows: to a stirred solution of 3-aminobiphenyl (338 mg, 2 mmol) in dichloromethane (DCM, 5 mL) under nitrogen protection, N,N'-thiocarbonyldiimidazole (TCDI, 535 mg, 3 mmol) and 4 -dimethylaminopyridine (DMAP, 48.8 mg, 0.04 mmol). The reaction mixture was stirred continuously at room temperature for 1 h. The progress of the reaction was monitored by thin layer chromatography (TLC) until the starting materials were completely consumed. Upon completion of the reaction, the mixture was purified by passing through a silica gel column (with DCM as eluent). Subsequently, the solvent was removed under reduced pressure to afford the colorless oily product 3-isothiocyanato-1,1'-biphenyl (407 mg, 96% yield). The Rf value of the product was 0.86 (eluent ratio 1:1 DCM/hexane). Nuclear magnetic resonance hydrogen spectrum (1H NMR, CDCl3) showed: δ 7.16 (ddd, 1H, J=8.2, 2.1 Hz, H6'), 7.34-7.48 (m, 6H, H4', H5', H4'', H3', H5'', H2'), 7.52 (m, 2H, H2'', H6''). The nuclear magnetic resonance carbon spectrum (13C NMR, CDCl3) showed δ 124.4 (CH), 124.5 (CH), 126.2 (CH), 127.2 (CH), 128.2 (CH), 129.1 (CH), 130.0 (CH), 131.8 (C), 135.7 (NCS), 139.5 (C), 143.0 (C ).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 22, p. 6782 - 6787

3-BIPHENYL ISOTHIOCYANATE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-BIPHENYL ISOTHIOCYANATE Suppliers

China 11 India 1 United States 5 Global 17

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1510-25-4, 3-BIPHENYL ISOTHIOCYANATERelated Search:

3-BIPHENYL ISOTHIOCYANATE

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3-Isothiocyanato-1,1’-biphenyl

1510-25-4