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301485

Sigma-Aldrich

1-Chloroethyl chloroformate

98%

Synonym(s):

ACE-Cl

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About This Item

Linear Formula:
CH3CHClOCOCl
CAS Number:
50893-53-3
Molecular Weight:
142.97
Beilstein:
1747601
EC Number:
256-834-2
MDL number:
MFCD00000647
UNSPSC Code:
12352100
PubChem Substance ID:
24858191
NACRES:
NA.22

vapor pressure

3.25 psi ( 20 °C)

Quality Level

200

Assay

98%

form

liquid

refractive index

n20/D 1.422 (lit.)

bp

118-119 °C (lit.)

density

1.325 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(Cl)OC(Cl)=O

InChI

1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3

InChI key

QOPVNWQGBQYBBP-UHFFFAOYSA-N

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General description

1-Chloroethyl chloroformate is used as a selective dealkylating agent for tertiary amines.

Application

1-Chloroethyl chloroformate was used:
  • for N-demethylation reaction during determination of multiple drugs of abuse in biological fluids using capillary electrophoresis with native fluorescence and laser-induced fluorescence detection
  • as catalyst in chemoselective desilylation of silyl-protected alcohols
  • as reagent in N-demethylation of tertiary amines to produce drug metabolite reference material for forensic toxicological applications
  • as reagent to cleave benzhydryl groups from amines

Signal Word

Danger

Hazard Statements

H226,H302,H314,H330

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

104.9 °F - closed cup

Flash Point(C)

40.5 °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 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

301485-500G:
301485-5G:
301485-25G:
QR-040-25G:
301485-VAR:
301485-10KG:
301485-1G:
301485-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Efficient chemoselective deprotection of silyl ethers using catalytic 1-chloroethyl chloroformate in methanol
Yeom CE, et al.
Tetrahedron, 61(52), 12227-12237 (2005)
Preparation of< i> N</i>-demethylated drug metabolites for analytical purposes using 1-chloroethyl chloroformate.
Pelander A, et al.
Forensic Science International, 85(3), 193-198 (1997)
Efficient chemoselective deprotection of silyl ethers using catalytic 1-chloroethyl chloroformate in methanol.
Yeom C-E, et al.
Tetrahedron, 61(52), 12227-12237 (2005)
Tetrahedron, 62, 6869-6869 (2006)
Ahmed Alnajjar et al.
Electrophoresis, 25(10-11), 1592-1600 (2004-06-10)
Methods for separation and determination of multiple drugs of abuse in biological fluids using capillary electrophoresis (CE) with native fluorescence and laser-induced fluorescence (LIF) detection are described herein. Using native fluorescence, normorphine, morphine, 6-acetyl morphine (6-AM), and codeine were analyzed

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