4-CHLOROBENZYL ISOTHIOCYANATE (CAS 3694-45-9) — formula C8H6ClNS, molecular weight 183.66; category organic chemicals.
| CAS Number | 3694-45-9 |
|---|---|
| Molecular Formula | C8H6ClNS |
| Molecular Weight | 183.66 |
| LogP | 3.8 |
| Category | Organic Chemicals |
4-CHLOROBENZYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3694-45-9 and molecular formula C8H6ClNS (molecular weight 183.66), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3694-45-9
Its molecular formula C8H6ClNS comprises 8 C, 6 H, 1 Cl, 1 N, 1 S atoms.
Also known as: 4-CHLOROBENZYL ISOTHIOCYANATE · 4-氯苄基异硫氰酸酯, 97%
Category: organic chemicals
The CAS registry number of 4-CHLOROBENZYL ISOTHIOCYANATE is 3694-45-9.
Molecular formula C8H6ClNS, molecular weight 183.66.
It is also registered under: 4-CHLOROBENZYL ISOTHIOCYANATE, 4-氯苄基异硫氰酸酯, 97%.
Category: Organic Chemicals.
Independent reference data for 4-CHLOROBENZYL ISOTHIOCYANATE (CAS 3694-45-9), compiled from public chemistry databases.
| CAS 号 | 3694-45-9 |
|---|---|
| PubChem CID | 19408 |
| 分子式 | C8H6ClNS |
| IUPAC 名称 | 1-chloro-4-(isothiocyanatomethyl)benzene |
| UNII（FDA） | ST50825206 |
| Molecular Weight | 183.66 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 182.9909481 |
| Monoisotopic Mass | 182.9909481 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 11 |
4-Chlorobenzyl isothiocyanate; 1-Chloro-4-(isothiocyanatomethyl)benzene; RefChem:521960; 670-479-4; 3694-45-9; Benzene, 1-chloro-4-(isothiocyanatomethyl)-; p-Chlorobenzyl isothiocyanate; ISOTHIOCYANIC ACID, p-CHLOROBENZYL ESTER; 4-Chlorobenzylisothiocyanate; MFCD00041116; NSC 221238; BRN 2085917; Toluene, p-chloro-alpha-isothiocyanato-; WLN: SCN1R DG; p-chlorobenzylisothiocyanate; 4-chlorobenzylisothio-cyanate
| 已通报的危害声明 | H302 (100%), H312 (100%), H314 (66.7%), H315 (33.3%), H319 (33.3%), H331 (66.7%), H332 (33.3%), H335 (33.3%) |
|---|
4-氯苄基异硫氰酸酯, 97% · CAS 3694-45-9 · C8H6ClNS. UNII ST50825206.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-氯苄基异硫氰酸酯, 97%