1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride (CAS 40400-15-5) — formula C8H6IN, molecular weight 243.04; category organic chemicals.
| CAS Number | 40400-15-5 |
|---|---|
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.04 |
| LogP | 2.5 |
| Category | Organic Chemicals |
1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride is a carbon-based organic compound with CAS registry number 40400-15-5 and molecular formula C8H6IN (molecular weight 243.04), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40400-15-5
Its molecular formula C8H6IN comprises 8 C, 6 H, 1 I, 1 N atoms.
Also known as: 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride · 1-(5-碘萘-1-磺酰基)-1H-六氢-1,4-二氮杂卓盐酸盐
Category: organic chemicals
The CAS registry number of 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride is 40400-15-5.
Molecular formula C8H6IN, molecular weight 243.04.
It is also registered under: 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride, 1-(5-碘萘-1-磺酰基)-1H-六氢-1,4-二氮杂卓盐酸盐.
Category: Organic Chemicals.
Independent reference data for 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride (CAS 40400-15-5), compiled from public chemistry databases.
| CAS Registry Number | 40400-15-5 |
|---|---|
| PubChem CID | 4402282 |
| Molecular formula | C8H6IN |
| IUPAC name | 2-(2-iodophenyl)acetonitrile |
| UNII (FDA) | ST51016211 |
| Molecular Weight | 243.04 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 242.95450 |
| Monoisotopic Mass | 242.95450 |
| Topological Polar Surface Area | 23.8 |
| Heavy Atom Count | 10 |
2-Iodophenylacetonitrile; 2-(2-iodophenyl)acetonitrile; 40400-15-5; 2-Iodobenzyl cyanide; 2-Iodobenzeneacetonitrile; MFCD00040888; Benzeneacetonitrile, 2-iodo-; (2-iodo-phenyl)-acetonitrile; SCHEMBL533864; DTXSID40402882; o-Iodobenzyl cyanide; (2-iodophenyl)acetonitrile; 2-Iodo; 2-iodo-phenylacetonitrile; A825092; 2-(2-iodophenyl)ethanenitrile
| Reported hazard statements | H302 (100%), H312 (100%), H315 (91.1%), H319 (91.1%), H332 (100%), H335 (88.9%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4 -diazepine, hydrochloride · CAS 40400-15-5 · C8H6IN. UNII ST51016211.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.