methyl isocyanoacetate (CAS 39687-95-1) — formula C4H5NO2, molecular weight 99.09; category organic chemicals.
methyl isocyanoacetate (CAS 39687-95-1) is a chemical raw material in the organic chemicals category. Its molecular formula C4H5NO2 comprises 4 C, 5 H, 1 N, 2 O atoms. Its molecular weight is about 99.09. Reported physicochemical data: LogP about -0.5. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 39687-95-1 |
|---|---|
| Molecular Formula | C4H5NO2 |
| Molecular Weight | 99.09 |
| LogP | -0.5 |
| Category | Organic Chemicals |
methyl isocyanoacetate is a carbon-based organic compound with CAS registry number 39687-95-1 and molecular formula C4H5NO2 (molecular weight 99.09), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 39687-95-1
Its molecular formula C4H5NO2 comprises 4 C, 5 H, 1 N, 2 O atoms.
Also known as: methyl isocyanoacetate · 异氰乙酸甲酯
Category: organic chemicals
The CAS registry number of methyl isocyanoacetate is 39687-95-1.
Molecular formula C4H5NO2, molecular weight 99.09.
It is also registered under: methyl isocyanoacetate, 异氰乙酸甲酯.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for methyl isocyanoacetate (CAS 39687-95-1), compiled from public chemistry databases.
| CAS Registry Number | 39687-95-1 |
|---|---|
| PubChem CID | 547815 |
| Molecular formula | C4H5NO2 |
| IUPAC name | methyl 2-isocyanoacetate |
| UNII (FDA) | NS00057701 |
| Molecular Weight | 99.09 |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 99.032028402 |
| Monoisotopic Mass | 99.032028402 |
| Topological Polar Surface Area | 30.7 |
| Heavy Atom Count | 7 |
Methyl isocyanoacetate; 39687-95-1; Acetic acid, isocyano-, methyl ester; RefChem:157906; 254-593-8; CRXFROMHHBMNAB-UHFFFAOYSA-N; EINECS 254-593-8; InChI=1/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H; Methyl 2-isocyanoacetate; Isocyanoacetic acid methyl ester; MFCD00000006; methylisocyanoacetate; Isocyano-acetic acid methyl ester; methyl-isocyanoacetate; methyl isocyano-acetate; methyl alpha-isocyanoacetate
| Reported hazard statements | H302 (95.7%), H312 (95.7%), H314 (100%), H331 (13%), H332 (87%) |
|---|
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
methyl isocyanoacetate · CAS 39687-95-1 · C4H5NO2. UNII NS00057701.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异氰乙酸甲酯