4-METHOXYBENZYL ISOTHIOCYANATE (CAS 3694-57-3) — formula C9H9NOS, molecular weight 179.24; category organic chemicals.
| CAS Number | 3694-57-3 |
|---|---|
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.24 |
| LogP | 3.3 |
| Category | Organic Chemicals |
4-METHOXYBENZYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3694-57-3 and molecular formula C9H9NOS (molecular weight 179.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3694-57-3
Its molecular formula C9H9NOS comprises 9 C, 9 H, 1 N, 1 O, 1 S atoms.
Also known as: 4-METHOXYBENZYL ISOTHIOCYANATE · 4-甲氧基苄基异硫氰酸酯
Category: organic chemicals
The CAS registry number of 4-METHOXYBENZYL ISOTHIOCYANATE is 3694-57-3.
Molecular formula C9H9NOS, molecular weight 179.24.
It is also registered under: 4-METHOXYBENZYL ISOTHIOCYANATE, 4-甲氧基苄基异硫氰酸酯.
Category: Organic Chemicals.
Independent reference data for 4-METHOXYBENZYL ISOTHIOCYANATE (CAS 3694-57-3), compiled from public chemistry databases.
| CAS 号 | 3694-57-3 |
|---|---|
| PubChem CID | 123197 |
| 分子式 | C9H9NOS |
| IUPAC 名称 | 1-(isothiocyanatomethyl)-4-methoxybenzene |
| UNII（FDA） | 2PA7V3TJK2 |
| Molecular Weight | 179.24 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.04048508 |
| Monoisotopic Mass | 179.04048508 |
| Topological Polar Surface Area | 53.7 |
| Heavy Atom Count | 12 |
4-Methoxybenzyl isothiocyanate; 1-(Isothiocyanatomethyl)-4-methoxybenzene; Benzene, 1-(isothiocyanatomethyl)-4-methoxy-; p-methoxybenzyl isothiocyanate; 2PA7V3TJK2; Phenethylidene-Malononitrile; DTXSID80190438; 1-ISOTHIOCYANATOMETHYL-4-METHOXYBENZENE; 1-(Isothiocyanatomethyl)-4-methoxybenzene, 9CI; RefChem:99631; DTXCID90112929; 4-Methoxybenzyl isothiocyanic acid; 671-089-7; IMFQYAJJXFXVMM-UHFFFAOYSA-N; 3694-57-3; 4-methoxybenzylisothiocyanate
| 已通报的危害声明 | H301, H311, H331 (12.5%), H302 (87.5%), H312 (87.5%), H314 (75%), H315 (25%), H319 (25%) |
|---|
4-甲氧基苄基异硫氰酸酯 · CAS 3694-57-3 · C9H9NOS. UNII 2PA7V3TJK2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲氧基苄基异硫氰酸酯