ethyl 2-isothiocyanatobenzoate (CAS 99960-09-5) — formula C10H9NO2S, molecular weight 207.25; category organic chemicals.
| CAS Number | 99960-09-5 |
|---|---|
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.25 |
| LogP | 4.2 |
| Category | Organic Chemicals |
ethyl 2-isothiocyanatobenzoate is a carbon-based organic compound with CAS registry number 99960-09-5 and molecular formula C10H9NO2S (molecular weight 207.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 99960-09-5
Its molecular formula C10H9NO2S comprises 10 C, 9 H, 1 N, 2 O, 1 S atoms.
Also known as: ethyl 2-isothiocyanatobenzoate · 2-异硫氰基苯甲酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 2-isothiocyanatobenzoate is 99960-09-5.
Molecular formula C10H9NO2S, molecular weight 207.25.
It is also registered under: ethyl 2-isothiocyanatobenzoate, 2-异硫氰基苯甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 2-isothiocyanatobenzoate (CAS 99960-09-5), compiled from public chemistry databases.
| CAS Registry Number | 99960-09-5 |
|---|---|
| PubChem CID | 523235 |
| Molecular formula | C10H9NO2S |
| IUPAC name | ethyl 2-isothiocyanatobenzoate |
| UNII (FDA) | ST50825553 |
| Molecular Weight | 207.25 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 207.03539970 |
| Monoisotopic Mass | 207.03539970 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 14 |
Ethyl 2-isothiocyanatobenzoate; 99960-09-5; DTXSID00335167; RefChem:594438; DTXCID50286256; 623-333-9; 2-Ethoxycarbonylphenyl isothiocyanate; 2-(ethoxycarbonyl)phenyl isothiocyanate; MFCD00041063; Benzoic acid, 2-isothiocyanato-, ethyl ester; 2-isothiocyanato-benzoic acid ethyl ester; SCHEMBL1457077; Ethyl 2-isothiocyanatobenzoate #; 2-Ethoxycarbonylphenylisothiocyanate; Ethyl 2-isothiocyanatobenzoate, 95%; isothiocyanatobenzoic acid ethyl ester
| Reported hazard statements | H314 (100%), H318 (88.6%) |
|---|
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
ethyl 2-isothiocyanatobenzoate · CAS 99960-09-5 · C10H9NO2S. UNII ST50825553.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-异硫氰基苯甲酸乙酯