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485489

Sigma-Aldrich

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
MDL number:
MFCD00190303
UNSPSC Code:
12352202
PubChem Substance ID:
24872082

isotopic purity

99 atom % 13C

Quality Level

200

Assay

99% (CP)

bp

194 °C (lit.)

mp

9-11 °C (lit.)

density

1.575 g/mL at 25 °C

mass shift

M+1

SMILES string

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

InChI

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

InChI key

JXTHNDFMNIQAHM-OUBTZVSYSA-N

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.

Signal Word

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 Code

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 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 3 petroleums
Hazardous rank III
Water soluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

485489-BULK:
485489-VAR:
485489-500MG:

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC3804
EW2029
20966EO
18874HS
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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