511935

Methyl 4-isocyanatobenzoate

98%

• Linear Formula: OCNC₆H₄CO₂CH₃
• CAS Number: 23138-53-6
• Molecular Weight: 177.16
• MDL number: MFCD01863690
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873592
• NACRES: NA.22
• assay: 98%

Properties

• Quality Level: 100
• assay: 98%
• mp: 50-52 °C (lit.)
• functional group: ester; isocyanate
• storage temp.: 2-8°C
• SMILES string: COC(=O)c1ccc(cc1)N=C=O
• InChI: 1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
• InChI key: FQDDBYGPHUUTRN-UHFFFAOYSA-N

Description

General description

Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.

Application

Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.[1]

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves