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tert-Butyl isocyanoacetate

Name: <I>tert</I>-Butyl isocyanoacetate
Brand: ALDRICH

technical, ≥95% (GC)

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About This Item

Linear Formula:

CNCH₂COOC(CH₃)₃

CAS Number:

2769-72-4

Molecular Weight:

141.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

57651661

MDL number:

MFCD00042952

Beilstein/REAXYS Number:

4130722

Assay:

≥95% (GC)

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Properties

grade

technical

Quality Segment

100

assay

≥95% (GC)

refractive index

n20/D 1.422

bp

50 °C/0.1 mmHg (lit.)

density

0.97 g/mL at 20 °C (lit.)

functional group

amine, ester, isonitrile

shipped in

wet ice

storage temp.

−20°C

SMILES string

CC(C)(C)OC(=O)C[N+]#[C-]

InChI

1S/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3

InChI key

IQSYKHVFMYGJER-UHFFFAOYSA-N

Description

Other Notes

Review

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This Item	238627	90218	28440
Sigma-Aldrich 58825 tert-Butyl isocyanoacetate	Sigma-Aldrich 238627 Ethyl isocyanatoacetate	Sigma-Aldrich 90218 tert-Butyl 3-hydroxypropionate	Sigma-Aldrich 28440 tert-Butyl cyanoacetate
assay ≥95% (GC)	assay 95%	assay ≥98.0% (GC)	assay ≥97.0% (GC)
Quality Level 100	Quality Level 200	Quality Level 100	Quality Level 100
storage temp. −20°C	storage temp. -	storage temp. -	storage temp. 2-8°C
refractive index n20/D 1.422	refractive index n20/D 1.422 (lit.)	refractive index n20/D 1.424	refractive index n20/D 1.420
bp 50 °C/0.1 mmHg (lit.)	bp 67-68 °C/11 mmHg (lit.)	bp -	bp 40-42 °C/0.1 mmHg (lit.)
density 0.97 g/mL at 20 °C (lit.)	density 1.151 g/mL at 25 °C (lit.)	density 0.990 g/mL at 20 °C (lit.)	density 0.988 g/mL at 20 °C (lit.)

pictograms

GHS07

signalword

Warning

hcodes

H302 + H332

pcodes

P261 - P264 - P271 - P301 + P312 - P304 + P340 + P312 - P501

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

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

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