4-CARBOXYPHENYL ISOTHIOCYANATE (CAS 2131-62-6) — formula C8H5NO2S, molecular weight 179.20; category organic chemicals.
4-CARBOXYPHENYL ISOTHIOCYANATE (CAS 2131-62-6) is a chemical raw material in the organic chemicals category. Its molecular formula C8H5NO2S comprises 8 C, 5 H, 1 N, 2 O, 1 S atoms. Its molecular weight is about 179.20. Reported physicochemical data: LogP about 2.44. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 2131-62-6 |
|---|---|
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.20 |
| LogP | 2.44 |
| Category | Organic Chemicals |
4-CARBOXYPHENYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 2131-62-6 and molecular formula C8H5NO2S (molecular weight 179.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2131-62-6
Its molecular formula C8H5NO2S comprises 8 C, 5 H, 1 N, 2 O, 1 S atoms.
Also known as: 4-CARBOXYPHENYL ISOTHIOCYANATE · 4-异硫氰酸基苯甲酸
Category: organic chemicals
The CAS registry number of 4-CARBOXYPHENYL ISOTHIOCYANATE is 2131-62-6.
Molecular formula C8H5NO2S, molecular weight 179.20.
It is also registered under: 4-CARBOXYPHENYL ISOTHIOCYANATE, 4-异硫氰酸基苯甲酸.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 4-CARBOXYPHENYL ISOTHIOCYANATE (CAS 2131-62-6), compiled from public chemistry databases.
| CAS Number | 2131-62-6 |
|---|---|
| PubChem CID | 242946 |
| Molecular Formula | C8H5NO2S |
| IUPAC Name | 4-isothiocyanatobenzoic acid |
| UNII (FDA) | G83CC6APM6 |
| Molecular Weight | 179.20 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.00409958 |
| Monoisotopic Mass | 179.00409958 |
| Topological Polar Surface Area | 81.8 |
| Heavy Atom Count | 12 |
| LogP | 2.44 |
|---|
4-Isothiocyanatobenzoic acid; 2131-62-6; Benzoic acid, 4-isothiocyanato-; 4-Icba; G83CC6APM6; NSC-52064; CHEBI:64464; DTXSID90175579; RefChem:99523; 4-carboxy-phenyl-isothiocyanate; DTXCID3098070; 4-Carboxyphenyl isothiocyanate; 4-carboxyphenylisothiocyanate; p-isothiocyanatobenzoic acid; MFCD00041369; Benzoic acid,4-isothiocyanato-
| Notified hazard statements | H302 (66.7%), H312 (66.7%), H315 (66.7%), H318 (33.3%), H319 (33.3%), H332 (66.7%), H335 (66.7%) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-异硫氰酸基苯甲酸