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structure of 2131-63-7

3-Carboxyphenyl Isothiocyanate(CAS 2131-63-7)

CAS No.: 2131-63-7 Brand: MolBest
M. Ft.: C8H5NO2S Cat. No: G2837506
M. Wt.: 179.2 MDL: MFCD00041367
Storage: Store in a cool,dry area. Use: For laboratory research use only
HS CODE: 2930909090 UN No.: UN 2811
Purity Grade Package Stock Price Quantity
95%
Documents:COANMRLCMSSDS
RG 250MG In Stock 15 USD
95%
Documents:COANMRLCMSSDS
RG 1G In Stock 38 USD
95%
Documents:COANMRLCMSSDS
RG 5G In Stock 143 USD
95%
Documents:COANMRLCMSSDS
RG 25G In Stock 530 USD
95%
Documents:COANMRLCMSSDS
RG 100G In Stock 2014 USD
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Applications of 2131-63-7

3-Isothiocyanatobenzoic acid finds applications in various fields:

  • Pharmaceuticals: As a potential lead compound in drug development due to its biological activity.
  • Agriculture: Used as a pesticide or herbicide due to its antimicrobial properties.
  • Chemical Synthesis: Serves as an intermediate in organic synthesis for producing other isothiocyanates and derivatives.

Physical and chemical properties of 2131-63-7

Acidity coefficient

3.72±0.10(Predicted)

Boiling Point

381.2ºC at 760mmHg

BRN

2209003

Density

1.27g/cm3

Exact Mass

179.00400

Flash Point

184.4ºC

Index of Refraction

1.612

LogP

2.11910

Melting Point

165 °C

Molecular Formula

C8H5NO2S

Molecular Weight

179.19600

PSA

81.75000

Sensitivity

Moisture Sensitive

Vapour Pressure

1.72E-06mmHg at 25°C

Water Solubility

100.4mg/L(25 ºC)

Spectrums of 2131-63-7

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 2131-63-7

Retrosynthesis analysis of 2131-63-7


Q&A for CAS 2131-63-7

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Download SDS of 2131-63-7

Pictograms

Signal Word

Danger

Hazard Statements

H302 Harmful if swallowed
H312 Harmful in contact with skin
H314 Causes severe skin burns and eye damage
H315 Causes skin irritation
H318 Causes serious eye damage
H319 Causes serious eye irritation
H332 Harmful if inhaled
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335 May cause respiratory irritation

Safety Data Sheet

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Operate under the ISO 9001 system