3-Isothiocyanatobenzoic acid
Also known as: Benzoic acid, 3-isothiocyanato-, 3-Carboxyphenyl isothiocyanate, 3-Carboxyphenyl isothiocyanate-97%, m-carboxyphenyl isothiocyanate, 3-Isothiocyanatobenzoic acid, Benzoic acid, 3-isothiocyanato-, NSC 53162, MFCD00041367, RARECHEM AL BO 0439
3-Isothiocyanatobenzoic acid (CAS 2131-63-7) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C8H5NO2S and a molecular weight of 179.19600 g/mol. Key properties include a melting point of 165 °C, a boiling point of 381.2ºC at 760mmHg, a density of 1.27g/cm3 and a flash point of 184.4ºC. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 2131-63-7
- Jingsj CID
- J-20719-2
- Molecular Formula
- C8H5NO2S
- Molecular Weight
- 179.19600 g/mol
- Category
- Organic Acids
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | 165 °C |
|---|---|
| Boiling Point | 381.2ºC at 760mmHg |
| Density | 1.27g/cm3 |
| Flash Point | 184.4ºC |
| Exact Mass | 179.00400 |
| PSA | 81.75000 |
| LogP | 2.11910 |
| Vapor Pressure | 1.72E-06mmHg at 25°C |
| Refractive Index | 1.612 |
Customs & Trade Information
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
Frequently Asked Questions
What is the CAS number of 3-Isothiocyanatobenzoic acid?
The CAS number of 3-Isothiocyanatobenzoic acid is 2131-63-7.
What are the molecular formula and molecular weight of 3-Isothiocyanatobenzoic acid?
3-Isothiocyanatobenzoic acid has molecular formula C8H5NO2S and molecular weight 179.19600 g/mol.
What are the upstream and downstream products of 3-Isothiocyanatobenzoic acid?
For 3-Isothiocyanatobenzoic acid, Upstream Products: Carbon disulphide, 3-Aminobenzoic acid, 1,1'-Thiocarbonyldiimidazole; Downstream Products: 1-(3-Carboxyphenyl)-2-thiourea, 3-(Methoxycarbonyl)phenyl isothiocyanate.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "3-Isothiocyanatobenzoic acid (CAS 2131-63-7)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-20719-2 (accessed 2026-11-09).
Data for reference only; verify product details with suppliers before purchase.