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516589

Sigma-Aldrich

Cyclopentyl isocyanate

97%

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About This Item

Linear Formula:
C5H9NCO
CAS Number:
4747-71-1
Molecular Weight:
111.14
MDL number:
MFCD02093695
UNSPSC Code:
12352100
PubChem Substance ID:
24873894
NACRES:
NA.22

vapor pressure

2.83 psi ( 20 °C)

Quality Level

100

Assay

97%

refractive index

n20/D 1.447 (lit.)

bp

147 °C (lit.)

density

0.986 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

O=C=NC1CCCC1

InChI

1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2

InChI key

CZALJDQHONFVFU-UHFFFAOYSA-N

Signal Word

Danger

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

97.0 °F - closed cup

Flash Point(C)

36.11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

516589-1G:
516589-VAR:
516589-BULK:
516589-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
51497MJV
68498MJ
51497MJ
07419TE
14822BO

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Electron paramagnetic resonance of free radicals in an adamantane matrix. III. Isocyanatoalkyl and isothiocyanatoalkyl radicals.
Wood DE, et al.
Journal of the American Chemical Society, 93(17), 4145-4148 (1971)
Laura H Heitman et al.
Journal of medicinal chemistry, 52(7), 2036-2042 (2009-03-20)
The luteinizing hormone (LH) receptor plays an important role in fertility and certain cancers. The endogenous ligands human chorionic gonadotropin (hCG) and LH bind to the large N terminal domain of the receptor. We recently reported on the first radiolabeled
Synthesis and Antibacterial Activity of Urea and Thiourea Derivatives of Anacardic Acid Mixture Isolated from A Natural Product Cashew Nut Shell Liquid (CNSL).
N Subhakara R, et al.
International Journal of Organic Chemistry (2012)

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