| Identification | Back Directory | [Name]
Cyclopentyl isocyanate | [CAS]
4747-71-1 | [Synonyms]
516589_ALDRICH
CYCLOPENTYL ISOCYANATE
Isocyanatocyclopentane
cyclopentane, isocyanato-
Cyclopentyl isocyanate 97%
Cyclopentyl Isocyanate >
Isocyanic Acid Cyclopentyl Ester
Cyclopentyl Isocyanate, 98.0%(GC)
isocyanatocyclopentane(SALTDATA: FREE)
InChI=1/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H | [Molecular Formula]
C6H9NO | [MDL Number]
MFCD02093695 | [MOL File]
4747-71-1.mol | [Molecular Weight]
111.14 |
| Chemical Properties | Back Directory | [Boiling point ]
147 °C(lit.)
| [density ]
0.986 g/mL at 25 °C(lit.)
| [vapor pressure ]
2.83 psi ( 20 °C)
| [refractive index ]
n20/D 1.447(lit.)
| [Fp ]
97 °F
| [storage temp. ]
2-8°C | [form ]
clear liquid | [color ]
Colorless to Light yellow to Light orange | [InChI]
1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2 | [InChIKey]
CZALJDQHONFVFU-UHFFFAOYSA-N | [SMILES]
O=C=NC1CCCC1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
10-20/21/22-36/37/38 | [Safety Statements ]
16-26-36/37/39 | [RIDADR ]
UN 1993 3/PG 1
| [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [PackingGroup ]
II | [HS Code ]
29291090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
Cyclopentyl isocyanate (CPI) is used as an additive for NCM83 cathodes. The P(III) centers in phosphites and the nitrogen atoms in nitrogen-containing compounds possess lone pairs of electrons, allowing them to interact with HF and H₂O through coordination or hydrogen-bonding interactions. Examples include N-acetylcaprolactam and cyclopentyl isocyanate. The synergistic effect of multiple functional groups enhances both moisture-scavenging and acid-suppressing capabilities. | [Reactivity Profile]
The carbon atom in the isocyanate group of cyclopentyl isocyanate forms a highly polar bond as a result of electronegativity differences, making it highly reactive toward compounds containing active hydrogen atoms, such as hydroxyl and amino groups. For example, in polyurethane synthesis, it reacts with polyols to form urethane bonds, producing polymeric materials with elasticity and wear resistance. In the field of pesticides, it reacts with amine compounds to generate biologically active isocyanate-containing intermediates. | [References]
[1] Liu, Gaopan, et al. “Stabilizing Ni-Rich LiNi0.83Co0.12Mn0.05O2 with Cyclopentyl Isocyanate as a Novel Electrolyte Additive.” ACS Applied Materials & Interfaces, 13 10, 2021, pp. 12069–78, https://doi.org/10.1021/acsami.1c00443. |
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