ethyl 6-isocyanatohexanoate (CAS 5100-36-7) — formula C9H15NO3, molecular weight 185.22; category organic chemicals.
| CAS Number | 5100-36-7 |
|---|---|
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.22 |
| LogP | 2.3 |
| Category | Organic Chemicals |
ethyl 6-isocyanatohexanoate is a carbon-based organic compound with CAS registry number 5100-36-7 and molecular formula C9H15NO3 (molecular weight 185.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5100-36-7
Its molecular formula C9H15NO3 comprises 9 C, 15 H, 1 N, 3 O atoms.
Also known as: ethyl 6-isocyanatohexanoate · 6-异氰酸己酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 6-isocyanatohexanoate is 5100-36-7.
Molecular formula C9H15NO3, molecular weight 185.22.
It is also registered under: ethyl 6-isocyanatohexanoate, 6-异氰酸己酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 6-isocyanatohexanoate (CAS 5100-36-7), compiled from public chemistry databases.
| CAS Registry Number | 5100-36-7 |
|---|---|
| PubChem CID | 3445675 |
| Molecular formula | C9H15NO3 |
| IUPAC name | ethyl 6-isocyanatohexanoate |
| Molecular Weight | 185.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 185.10519334 |
| Monoisotopic Mass | 185.10519334 |
| Topological Polar Surface Area | 55.7 |
| Heavy Atom Count | 13 |
Ethyl 6-isocyanatohexanoate; 5100-36-7; DTXSID20392535; RefChem:138847; DTXCID30343396; 624-235-9; ZCLBSYCOBSMTMV-UHFFFAOYSA-N; Ethyl6-isocyanatohexanoate; MFCD00078410; 6-isocyanato-hexanoic acid ethyl ester; ethyl 6-isocyanatocaproate; A828390; SCHEMBL1201485; SCHEMBL27481915; Ethyl 6-isocyanatohexanoate, 98%; 6-isocyanatohexanoic acid ethyl ester
| Reported hazard statements | H302 (100%), H312 (90.7%), H319 (100%), H332 (100%), H334 (11.6%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
ethyl 6-isocyanatohexanoate · CAS 5100-36-7 · C9H15NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-异氰酸己酸乙酯