Isopropyl cyanoacetate (CAS 13361-30-3) — formula C6H9NO2, molecular weight 127.14; category organic chemicals.
| CAS Number | 13361-30-3 |
|---|---|
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.14 |
| LogP | 0.8 |
| Category | Organic Chemicals |
Isopropyl cyanoacetate is a carbon-based organic compound with CAS registry number 13361-30-3 and molecular formula C6H9NO2 (molecular weight 127.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13361-30-3
Its molecular formula C6H9NO2 comprises 6 C, 9 H, 1 N, 2 O atoms.
Also known as: Isopropyl cyanoacetate · 氰乙酸异丙酯
Category: organic chemicals
The CAS registry number of Isopropyl cyanoacetate is 13361-30-3.
Molecular formula C6H9NO2, molecular weight 127.14.
It is also registered under: Isopropyl cyanoacetate, 氰乙酸异丙酯.
Category: Organic Chemicals.
Independent reference data for Isopropyl cyanoacetate (CAS 13361-30-3), compiled from public chemistry databases.
| CAS Registry Number | 13361-30-3 |
|---|---|
| PubChem CID | 25917 |
| Molecular formula | C6H9NO2 |
| IUPAC name | propan-2-yl 2-cyanoacetate |
| UNII (FDA) | 0V3MGI9XMA |
| Molecular Weight | 127.14 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 127.063328530 |
| Monoisotopic Mass | 127.063328530 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 9 |
isopropyl 2-cyanoacetate; Isopropyl cyanoacetate; Cyanoacetic Acid Isopropyl Ester; ACETIC ACID, CYANO-, ISOPROPYL ESTER; 0V3MGI9XMA; Acetic acid, cyano-, 1-methylethyl ester; NSC 1071; EINECS 236-421-3; BRN 1756014; NSC-1071; DTXSID20158198; ACETIC ACID, 2-CYANO-, 1-METHYLETHYL ESTER; RefChem:792167; DTXCID3080689; 236-421-3; 13361-30-3
| Reported hazard statements | H315 (100%), H319 (100%), H335 (83.3%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Isopropyl cyanoacetate · CAS 13361-30-3 · C6H9NO2. UNII 0V3MGI9XMA.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氰乙酸异丙酯