Ethyl 4-isothiocyanatobutyrate (CAS 17126-65-7) — formula C7H11NO2S, molecular weight 173.24; category organic chemicals.
| CAS Number | 17126-65-7 |
|---|---|
| Molecular Formula | C7H11NO2S |
| Molecular Weight | 173.24 |
| LogP | 2.1 |
| Category | Organic Chemicals |
Ethyl 4-isothiocyanatobutyrate is a carbon-based organic compound with CAS registry number 17126-65-7 and molecular formula C7H11NO2S (molecular weight 173.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 17126-65-7
Its molecular formula C7H11NO2S comprises 7 C, 11 H, 1 N, 2 O, 1 S atoms.
Also known as: Ethyl 4-isothiocyanatobutyrate · 4-异硫氰酸丁酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl 4-isothiocyanatobutyrate is 17126-65-7.
Molecular formula C7H11NO2S, molecular weight 173.24.
It is also registered under: Ethyl 4-isothiocyanatobutyrate, 4-异硫氰酸丁酸乙酯.
Category: Organic Chemicals.
Independent reference data for Ethyl 4-isothiocyanatobutyrate (CAS 17126-65-7), compiled from public chemistry databases.
| CAS Registry Number | 17126-65-7 |
|---|---|
| PubChem CID | 123372 |
| Molecular formula | C7H11NO2S |
| IUPAC name | ethyl 4-isothiocyanatobutanoate |
| Molecular Weight | 173.24 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 173.05104977 |
| Monoisotopic Mass | 173.05104977 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 11 |
Ethyl 4-isothiocyanatobutanoate; 17126-65-7; E-4IB; 4-Isothiocyanatobutanoic acid ethyl ester; E-4IB cpd; ethyl-4-isothiocyanatobutanoate; Butanoic acid, 4-isothiocyanato-, ethyl ester; DTXSID10169051; RefChem:138775; DTXCID2091542; Ethyl 4-isothiocyanatobutyrate; MFCD00041135; 4-Isothiocyanato-butyric acid ethyl ester; SCHEMBL3083780; AKOS006344450; Butyric acid, 4-isothiocyanato-, ethyl ester
| Reported hazard statements | H302 (50%), H312 (50%), H315 (100%), H319 (100%), H332 (50%), H335 (100%) |
|---|
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Ethyl 4-isothiocyanatobutyrate · CAS 17126-65-7 · C7H11NO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-异硫氰酸丁酸乙酯