3-CHLOROBENZYL ISOTHIOCYANATE (CAS 3694-58-4) — formula C8H6ClNS, molecular weight 183.66; category organic chemicals.
| CAS Number | 3694-58-4 |
|---|---|
| Molecular Formula | C8H6ClNS |
| Molecular Weight | 183.66 |
| LogP | 4.2 |
| Category | Organic Chemicals |
3-CHLOROBENZYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3694-58-4 and molecular formula C8H6ClNS (molecular weight 183.66), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3694-58-4
Its molecular formula C8H6ClNS comprises 8 C, 6 H, 1 Cl, 1 N, 1 S atoms.
Also known as: 3-CHLOROBENZYL ISOTHIOCYANATE · 异硫氰酸3-氯苄酯
Category: organic chemicals
The CAS registry number of 3-CHLOROBENZYL ISOTHIOCYANATE is 3694-58-4.
Molecular formula C8H6ClNS, molecular weight 183.66.
It is also registered under: 3-CHLOROBENZYL ISOTHIOCYANATE, 异硫氰酸3-氯苄酯.
Category: Organic Chemicals.
Independent reference data for 3-CHLOROBENZYL ISOTHIOCYANATE (CAS 3694-58-4), compiled from public chemistry databases.
| CAS 号 | 3694-58-4 |
|---|---|
| PubChem CID | 19412 |
| 分子式 | C8H6ClNS |
| IUPAC 名称 | 1-chloro-3-(isothiocyanatomethyl)benzene |
| Molecular Weight | 183.66 |
|---|---|
| XLogP3 | 4.2 |
| 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 |
3-Chlorobenzyl isothiocyanate; 1-Chloro-3-(isothiocyanatomethyl)benzene; Benzene, 1-chloro-3-(isothiocyanatomethyl)-; BRN 2085926; 4-12-00-02365 (Beilstein Handbook Reference); DTXSID40190439; RefChem:323679; DTXCID00112930; Benzene, 1-chloro-3-(isothiocyanatomethyl)-(9CI); GGNLZOLEJMSOKU-UHFFFAOYSA-N; 3694-58-4; m-Chlorobenzyl isothiocyanate; ISOTHIOCYANIC ACID, m-CHLOROBENZYL ESTER; Isothiocyanic acid, 3-chlorobenzyl ester; MFCD00046820; 3-Chlorobenzyl isothiocyanate,
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
异硫氰酸3-氯苄酯 · CAS 3694-58-4 · C8H6ClNS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异硫氰酸3-氯苄酯