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Merck
CN

485489

Dichloroacetic acid-2-13C

99 atom % 13C

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About This Item

Linear Formula:
Cl213CHCO2H
CAS Number:
286367-78-0
Molecular Weight:
129.93
UNSPSC Code:
12352202
PubChem Substance ID:
24872082
MDL number:
MFCD00190303
Isotopic purity:
99 atom % 13C
Assay:
99% (CP)
Mass shift:
M+1

Key Documents

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InChI

1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i1+1

SMILES string

OC(=O)[13CH](Cl)Cl

InChI key

JXTHNDFMNIQAHM-OUBTZVSYSA-N

isotopic purity

99 atom % 13C

assay

99% (CP)

bp

194 °C (lit.)

mp

9-11 °C (lit.)

density

1.575 g/mL at 25 °C

mass shift

M+1

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.

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Aquatic Acute 1 - Carc. 2 - Eye Dam. 1 - Lact. - Met. Corr. 1 - Repr. 1B - Skin Corr. 1A - STOT RE 2 Oral

target_organs

Brain,Liver,Testes

Storage Class

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

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC3804
EW2029
18874HS
20966EO
TP0708

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Shimin Wu et al.
Journal of chromatography. A, 1487, 100-107 (2017-01-26)
The addition of oxidants for disinfecting water can lead to the formation of potentially carcinogenic compounds referred to as disinfection byproducts (DBPs). Haloacetic acids (HAAs) are one of the most widely detected DBPs in US water utilities and some of

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