282405

3-Chloropropyl isocyanate

96%

• Linear Formula: Cl(CH₂)₃NCO
• CAS Number: 13010-19-0
• Molecular Weight: 119.55
• MDL number: MFCD00010384
• UNSPSC Code: 12352100
• PubChem Substance ID: 24857045
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 96%
• refractive index: n20/D 1.452 (lit.)
• bp: 152-154 °C (lit.)
• density: 1.165 g/mL at 25 °C (lit.)
• functional group: amine; chloro; isocyanate
• SMILES string: ClCCCN=C=O
• InChI: 1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
• InChI key: RQAVSDINDRNIKL-UHFFFAOYSA-N

Description

Application

3-Chloropropyl isocyanate has been used in the preparation of:

• 9,10-dimethoxy- and 9,10-diethoxy-5H-2,3,7,8,12b,13-hexahydroimidazo[1′,2′:3,4]pyrimido[6,1-a]isoquinolin-5-one
• 11,12-dimethoxy- and 11,12-diethoxy-2H,6H-3,4,8,9,13b,14-hexahydropyrimido[1′,2′:3,4]pyrimido[6,1-a]isoquinoline-6-one
• N-[N′-(3-chloropropyl)-N′-nitrosocarbamoyl]-L-proline
• 1,3-oxazino[2,3-b]quinazolines via coupling with anthranilamide

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,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 Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 143.6 °F - closed cup
• flash_point_c: 62 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter