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Key Documents

308226

Sigma-Aldrich

Ethyl isocyanatoformate

90%, technical grade

Synonym(s):

Ethoxycarbonyl isocyanate

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About This Item

Linear Formula:
OCNCO2C2H5
CAS Number:
Molecular Weight:
115.09
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Assay

90%

form

liquid

refractive index

n20/D 1.408 (lit.)

bp

25 °C/10 mmHg (lit.)

density

1.115 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCOC(=O)N=C=O

InChI

1S/C4H5NO3/c1-2-8-4(7)5-3-6/h2H2,1H3

InChI key

VMVZGGPZNHFGKS-UHFFFAOYSA-N

Application

Ethyl isocyanatoformate was used in the synthesis of ethyl[(phenylamino)carbonyl]carbamate by reacting with aniline.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

96.8 °F - closed cup

Flash Point(C)

36 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Lin Zhou et al.
Chemical research in toxicology, 17(3), 416-423 (2004-03-18)
Whereas nitrosation of secondary amines produces nitrosamines, amino acids with primary amino groups and glycine ethyl ester were reported to react with nitrite to give unidentified agents that alkylated 4-(p-nitrobenzyl)pyridine to produce purple dyes and be direct mutagens in the

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