methyl 2-isothiocyanatobenzoate (CAS 16024-82-1) — formula C9H7NO2S, molecular weight 193.22; category organic chemicals.
methyl 2-isothiocyanatobenzoate (CAS 16024-82-1) is a chemical raw material in the organic chemicals category. Its molecular formula C9H7NO2S comprises 9 C, 7 H, 1 N, 2 O, 1 S atoms. Its molecular weight is about 193.22. Reported physicochemical data: LogP about 3.2. 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 | 16024-82-1 |
|---|---|
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.22 |
| LogP | 3.2 |
| Category | Organic Chemicals |
methyl 2-isothiocyanatobenzoate is a carbon-based organic compound with CAS registry number 16024-82-1 and molecular formula C9H7NO2S (molecular weight 193.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16024-82-1
Its molecular formula C9H7NO2S comprises 9 C, 7 H, 1 N, 2 O, 1 S atoms.
Also known as: methyl 2-isothiocyanatobenzoate · 2-异硫氰基苯甲酸甲酯
Category: organic chemicals
The CAS registry number of methyl 2-isothiocyanatobenzoate is 16024-82-1.
Molecular formula C9H7NO2S, molecular weight 193.22.
It is also registered under: methyl 2-isothiocyanatobenzoate, 2-异硫氰基苯甲酸甲酯.
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 methyl 2-isothiocyanatobenzoate (CAS 16024-82-1), compiled from public chemistry databases.
| CAS Registry Number | 16024-82-1 |
|---|---|
| PubChem CID | 85243 |
| Molecular formula | C9H7NO2S |
| IUPAC name | methyl 2-isothiocyanatobenzoate |
| UNII (FDA) | C33966G6E3 |
| Molecular Weight | 193.22 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 193.01974964 |
| Monoisotopic Mass | 193.01974964 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 13 |
Methyl 2-isothiocyanatobenzoate; 16024-82-1; Benzoic acid, 2-isothiocyanato-, methyl ester; DTXSID70166844; C33966G6E3; RefChem:814491; DTXCID2089335; 240-164-2; 2-Methoxycarbonylphenyl isothiocyanate; MFCD00041062; 2-Isothiocyanatobenzoic Acid Methyl Ester; EINECS 240-164-2; SCHEMBL910030; methyl 2-isothiocyanatobenzenecarboxylate; BP-10699; UNXVHBOJSCWVCD
| Reported hazard statements | H302 (85.7%), H312 (71.4%), H314 (71.4%), H315 (28.6%), H317 (14.3%), H319 (28.6%), H331 (71.4%), H332 (14.3%) |
|---|
H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
methyl 2-isothiocyanatobenzoate · CAS 16024-82-1 · C9H7NO2S. UNII C33966G6E3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-异硫氰基苯甲酸甲酯