3-CARBOXYPHENYL ISOTHIOCYANATE (CAS 2131-63-7) — formula C8H5NO2S, molecular weight 179.20; category organic chemicals.
| CAS Number | 2131-63-7 |
|---|---|
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.20 |
| LogP | 2.4 |
| Category | Organic Chemicals |
3-CARBOXYPHENYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 2131-63-7 and molecular formula C8H5NO2S (molecular weight 179.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2131-63-7
Its molecular formula C8H5NO2S comprises 8 C, 5 H, 1 N, 2 O, 1 S atoms.
Also known as: 3-CARBOXYPHENYL ISOTHIOCYANATE · 3-羧基苯基异硫氰酸酯, 97%
Category: organic chemicals
The CAS registry number of 3-CARBOXYPHENYL ISOTHIOCYANATE is 2131-63-7.
Molecular formula C8H5NO2S, molecular weight 179.20.
It is also registered under: 3-CARBOXYPHENYL ISOTHIOCYANATE, 3-羧基苯基异硫氰酸酯, 97%.
Category: Organic Chemicals.
Independent reference data for 3-CARBOXYPHENYL ISOTHIOCYANATE (CAS 2131-63-7), compiled from public chemistry databases.
| CAS 号 | 2131-63-7 |
|---|---|
| PubChem CID | 75046 |
| 分子式 | C8H5NO2S |
| IUPAC 名称 | 3-isothiocyanatobenzoic acid |
| UNII（FDA） | ST50825136 |
| Molecular Weight | 179.20 |
|---|---|
| XLogP3 | 3 |
| 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 | 2.4 |
|---|
3-Isothiocyanatobenzoic acid; 2131-63-7; Benzoic acid, 3-isothiocyanato-; DTXSID00175580; NSC 53162; RefChem:118406; DTXCID8098071; 671-009-0; PJRBPKOOGLKPFB-UHFFFAOYSA-N; 3-Carboxyphenyl isothiocyanate; 3-Carboxyphenylisothiocyanate; MFCD00041367; NSC53162; m-carboxyphenyl isothiocyanate; SCHEMBL687302; 3-Isothiocyanatobenzoic acid #
| 已通报的危害声明 | H302 (85.7%), H312 (85.7%), H314 (57.1%), H315 (14.3%), H318 (28.6%), H319 (14.3%), H332 (85.7%), H334 (28.6%) |
|---|
3-羧基苯基异硫氰酸酯, 97% · CAS 2131-63-7 · C8H5NO2S. UNII ST50825136. LogP: 2.4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-羧基苯基异硫氰酸酯, 97%