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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:
Molecular Weight:
99.13
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-862-8
Beilstein/REAXYS Number:
773917
MDL number:
Assay:
98%
Form:
liquid
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InChI

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

InChI key

HNHVTXYLRVGMHD-UHFFFAOYSA-N

SMILES string

CCCCN=C=O

vapor density

3 (vs air)

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.)

Quality Level

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.

signalword

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

3 - Flammable liquids

wgk

WGK 1

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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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
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
Qinghai Huang et al.
Neurology India, 58(2), 259-263 (2010-05-29)
Distal anterior cerebral artery (DACA) aneurysms are less common, accounting for 3.1 to 9.2% of all intracranial aneurysms.The clinical characteristics and surgical techniques are quite different from those of other aneurysms of Willis circle. We aimed to investigate the clinical
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)

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