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B95736

Sigma-Aldrich

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

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 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 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

B95736-BULK:
B95736-25ML:
B95736-VAR:
B95736-5ML:
B95736-500ML:
B95736-100ML:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW2732
MKCV3757
MKCS7716
MKCN7376
MKCD8242

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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
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)
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
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
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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