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Merck
CN

614661

3-Chloro-1,2-propanediol-1,1,2,3,3-d5

98 atom % D, 97% (CP)

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About This Item

Linear Formula:
ClCD2CD(OH)CD2OH
Molecular Weight:
115.57
UNSPSC Code:
12352101
PubChem Substance ID:
329759499
MDL number:
MFCD01317355
Isotopic purity:
98 atom % D
Assay:
97% (CP)
Mass shift:
M+5

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InChI

1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/i1D2,2D2,3D

SMILES string

[2H]C([2H])(O)C([2H])(O)C([2H])([2H])Cl

InChI key

SSZWWUDQMAHNAQ-UXXIZXEISA-N

isotopic purity

98 atom % D

assay

97% (CP)

bp

216-219 °C

density

1.381 g/mL at 25 °C

mass shift

M+5

Quality Level

200

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

signalword

Danger

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

ppe

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

target_organs

Kidney, Testes

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Carc. 2 - Eye Dam. 1 - Met. Corr. 1 - Repr. 1B - Skin Irrit. 2 - STOT RE 1 - STOT SE 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC6827
MBBC6817
MBBC6758
MBBC1312
MBBB7765V

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Thorsten Buhrke et al.
Archives of toxicology, 89(12), 2243-2251 (2014-10-31)
The food contaminants 3-chloro-1,2-propanediol (3-MCPD) and 3-MCPD fatty acid esters have attracted considerable attention in the past few years due to their toxic properties and their occurrence in numerous foods. Recently, significant amounts of the isomeric compounds 2-chloro-1,3-propanediol (2-MCPD) fatty
Roberta Andreoli et al.
Analytical and bioanalytical chemistry, 407(16), 4823-4827 (2015-04-12)
A new method for the simultaneous quantitative determination in human urine of 3-monochloropropane-1,2-diol (3-MCPD), a toxic food contaminant, and its metabolite, 2,3-dihydroxypropyl mercapturic acid (DHPMA), was developed and validated. After urine dilution, the analytes were separated on an Atlantis®dC18 column

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