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Key Documents

Safety Information

20070

Sigma-Aldrich

Butyl isocyanate

purum, ≥98.0% (GC)

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About This Item

Linear Formula:
CH3(CH2)3NCO
CAS Number:
Molecular Weight:
99.13
Beilstein:
773917
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

vapor density

3 (vs air)

vapor pressure

10.6 mmHg ( 20 °C)

grade

purum

Assay

≥98.0% (GC)

contains

0.2% acetyl chloride as stabilizer

refractive index

n20/D 1.406 (lit.)
n20/D 1.41

bp

115 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

storage temp.

2-8°C

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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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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