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Merck
CN

B95736

Butyl isocyanate

98%

Synonym(s):

1-Isocyanatobutane, n-Butyl isocyanate, BIC

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About This Item

Linear Formula:
CH3(CH2)3NCO
CAS Number:
111-36-4
Molecular Weight:
99.13
Beilstein:
773917
EC Number:
203-862-8
MDL number:
MFCD00002046
UNSPSC Code:
12352100
PubChem Substance ID:
24892145
NACRES:
NA.21

Key Documents

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vapor density

3 (vs air)

Quality Level

100

vapor pressure

10.6 mmHg ( 20 °C)

Assay

98%

form

liquid

refractive index

n20/D 1.406 (lit.)

bp

115 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

SMILES string

CCCCN=C=O

InChI

1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3

InChI key

HNHVTXYLRVGMHD-UHFFFAOYSA-N

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General description

Butyl isocyanate is a metabolite of benomyl, a broad spectrum fungicide.

Application

Butyl isocyanate can undergo anionic polymerization to form poly(butyl isocyanate) using lanthanum isopropoxide as the initiator.

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 2 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

51.8 °F - closed cup

Flash Point(C)

11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX8185
MKCW2732
MKCV3757
MKCS7716
MKCN7376

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S P Kucera et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 30(6), 779-799 (1995-11-01)
The effects of the fungicide benomyl and its breakdown products, carbendazim and butyl isocyanate, were examined on canine tracheal epithelial tissue in primary culture. Changes in ciliary frequencies were monitored with an optical spectrum analysis system. Serial dilutions of the
J Pauluhn et al.
Archives of toxicology, 66(2), 118-125 (1992-01-01)
The objectives of this study were to use pulmonary function tests, blood gas measurements and bronchoalveolar lung lavage (BAL) to characterize lesions in the respiratory tract of young adult male Wistar rats as a result of a 5-day exposure (6
N, N′-dibutylurea from n-butyl isocyanate, a degradation product of benomyl. 1. Formation in Benlate formulations and on plants.
Moye H A, et al.
Journal of Agricultural and Food Chemistry, 42(5), 1204-1208 (1994)
Chun-Sik Yoon et al.
Environmental toxicology, 23(1), 131-144 (2008-01-25)
We investigated the toxic effects of carbendazim and n-butyl isocyanate (BIC), metabolites of the fungicide benomyl, on development in the African clawed frog, Xenopus laevis. To test the toxic effects, frog embryo teratogenesis assays using Xenopus were performed. Embryos were
Shyh-Ying Chiou et al.
Chirality, 22(2), 267-274 (2009-06-06)
The acetylcholinesterase inhibition by enantiomers of exo- and endo-2-norbornyl-N-n-butylcarbamates shows high stereoselelectivity. For the acetylcholinesterase inhibitions by (R)-(+)- and (S)-(-)-exo-2-norbornyl-N-n-butylcarbamates, the R-enantiomer is more potent than the S-enantiomer. But, for the acetylcholinesterase inhibitions by (R)-(+)- and (S)-(-)-endo-2-norbornyl-N-n-butylcarbamates, the S-enantiomer is
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