Methyl isocyanoacetate

Name: Methyl isocyanoacetate
Brand: Vaqora Chemicals
SKU: VQ-009717

About Methyl isocyanoacetate

Vaqora Chemicals supplies Methyl isocyanoacetate, a nitrile building block registered under CAS number 39687-95-1, specified at 97.32% purity. Formula C4H5NO2, molecular weight 99.09 g/mol. Systematically, it is named methyl 2-isocyanoacetate. It is also known as Isocyanoacetic Acid Methyl Ester or Acetic acid, isocyano-, methyl ester.

Store in a tightly closed container in a cool, dry and well-ventilated place. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

Key uses span organic synthesis and API synthesis. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Methyl isocyanoacetate in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide. Stock is available for quick dispatch.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Methyl isocyanoacetate
Catalogue No.	VQ-009717
CAS Number	39687-95-1
IUPAC name	methyl 2-isocyanoacetate
Molecular formula	C₄H₅NO₂
Molecular weight	99.09 g/mol
Exact mass	99.032
Grade	Reference Standard
Purity / assay	97.32%
InChIKey	CRXFROMHHBMNAB-UHFFFAOYSA-N
SMILES	COC(=O)C[N+]#[C-]
PubChem CID	547815

Physical properties
Physical form	Other
LogP (XLogP3)	-0.5
H-bond donors / acceptors	0 / 3
TPSA	30.7 Å²
Synonyms	Isocyanoacetic Acid Methyl Ester, Acetic acid, isocyano-, methyl ester, methylisocyanoacetate, Isocyano-acetic acid methyl ester, methyl-isocyanoacetate, methyl isocyano-acetate, methyl alpha-isocyanoacetate

Safety & hazard information (GHS)

Corrosive

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H314Causes severe skin burns and eye damage
H331Toxic if inhaled
H332Harmful if inhaled

Precautionary statements: P260, P261, P264, P270, P271, P280, P301 + P317, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P304 + P340, P305 + P354 + P338, P316, P317, P321, P330, P362 + P364, P363, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Methyl isocyanoacetate?

The CAS Registry Number of Methyl isocyanoacetate is 39687-95-1. It is also known as Isocyanoacetic Acid Methyl Ester, Acetic acid, isocyano-, methyl ester, methylisocyanoacetate.

What is the molecular formula and molecular weight of Methyl isocyanoacetate?

Methyl isocyanoacetate has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is methyl 2-isocyanoacetate.

Which grade and pack sizes of Methyl isocyanoacetate can I order?

We supply Methyl isocyanoacetate in Reference Standard (97.32%) grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Methyl isocyanoacetate?

Yes. Every lot of Methyl isocyanoacetate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Methyl isocyanoacetate be shipped internationally?

Yes. Methyl isocyanoacetate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.