Chloroform-d - ≥99.8 atom%D , CAS No.865-49-6

CAS: 865-49-6 Cat. No.: C109595 Formula: CDCl3 Molecular Weight: 120.38 Beilstein Registry Number: 1697633 EC Number: 212-742-4
AVAILABLE TO ORDER
GRADE & PURITY ≥99.8 atom% D
Synonyms
Chloroform-d, 99.8 atom % D, contains 0.1 % (v/v) TMS | NSC-74126 | t-Butylhydroperoxide | deuteriotrichloromethane | Genetron 133a | DTXSID50904766 | C1423 | Chloroform-d, >=99.8 atom % D, contains 0.5 wt. % silver foil as stabilizer, 0.03 % (v/v) TMS |
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
USA
Germany (EU)*
Price
Qty
10×0.6ml
C109595-10×0.6ml
6 In stock
—
$29.90
10×1g
C109595-10×1g
In stock ≥10
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$32.90
50g
C109595-50g
2 In stock
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$49.90
100g
C109595-100g
5 In stock
—
$79.90
250g
C109595-250g
3 In stock
—
$159.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99.8 atom%D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 317 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Introduction

Chloroform-d (Deuterochloroform, CDCl3), deuterated chloroform, is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Quantitaive infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the ν1 and ν2 bands of CHCl3 and CDCl3.


Application

Chloroform-d has been employed as solvent in a 1H NMR (Proton Nuclear Magnetic Resonance) spectroscopic study. It has been employed as solvent during the 31PNMR (Phosphorus-31 nuclear magnetic resonance) spectral investigation of triphenyl phosphate and tris(2-chloroethyl) phosphate. It has also been used as the deuterated solvent in the 1H NMR spectral studies of 2-(4-bromobenzyl)-3-hydroxypropanoic acid and 3-hydroxy-2-(4-methoxybenzyl)propanoic acid. It has also been used as the deuterated solvent for the 1HNMR spectral studies of 3,3′-dihydroxy-4,4′-diamino-biphenyl (HAB) and 2,2′-bis-(3,4-dicarboxy-phenyl) hexafluoropropane dianhydride (6FDA) polyimide.

Specifications

Synonyms
Chloroform-d, 99.8 atom % D, contains 0.1 % (v/v) TMS | NSC-74126 | t-Butylhydroperoxide | deuteriotrichloromethane | Genetron 133a | DTXSID50904766 | C1423 | Chloroform-d, >=99.8 atom % D, contains 0.5 wt. % silver foil as stabilizer, 0.03 % (v/v) TMS |
Specifications & Purity
≥99.8 atom%D
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99.8 atom% D
Names and Identifiers
Pubchem Sid508813881
Canonical SmilesC(Cl)(Cl)Cl
IUPAC Nametrichloro(deuterio)methane
InChIKeyHEDRZPFGACZZDS-MICDWDOJSA-N
INCHI1S/CHCl3/c2-1(3)4/h1H/i1D
Isomeric SMILES [2H]C(Cl)(Cl)Cl
WGK Germany 3
Alternate CAS 67-66-3(unlabelled)
UN Number 1888
Packing Group III
Molecular Weight 120.38
Beilstein 1697633
Reaxy-Rn 1731042
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731042&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganohalogen compounds
ClassAlkyl halides
SubclassHalomethanes
Intermediate Tree Nodes Not available
Direct ParentTrihalomethanes
Alternative Parents Organochlorides  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Trihalomethane - Hydrocarbon derivative - Organochloride - Alkyl chloride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
External Descriptors one-carbon compound - deuterated compound - chloromethanes
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

52 results found

Lot NumberCertificate TypeDateItem
I2628142Certificate of AnalysisSep 20, 2026 C109595
I2628141Certificate of AnalysisSep 20, 2026 C109595
I2628140Certificate of AnalysisSep 20, 2026 C109595
I2628139Certificate of AnalysisSep 20, 2026 C109595
G2609151Certificate of AnalysisMar 16, 2026 C109595
D2630528Certificate of AnalysisMar 16, 2026 C109595
D2630527Certificate of AnalysisMar 16, 2026 C109595
D2623117Certificate of AnalysisMar 16, 2026 C109595
D2623114Certificate of AnalysisMar 16, 2026 C109595
D2623112Certificate of AnalysisMar 16, 2026 C109595
L2522233Certificate of AnalysisDec 11, 2025 C109595
D2628110Certificate of AnalysisDec 11, 2025 C109595
L2522223Certificate of AnalysisDec 11, 2025 C109595
L2522224Certificate of AnalysisDec 11, 2025 C109595
L2522226Certificate of AnalysisDec 11, 2025 C109595
I2511277Certificate of AnalysisAug 27, 2025 C109595
I2511278Certificate of AnalysisAug 27, 2025 C109595
I2511276Certificate of AnalysisAug 27, 2025 C109595
I2511275Certificate of AnalysisAug 27, 2025 C109595
G2503277Certificate of AnalysisJun 11, 2025 C109595
G2503276Certificate of AnalysisJun 11, 2025 C109595
G2503275Certificate of AnalysisJun 11, 2025 C109595
G2503274Certificate of AnalysisJun 11, 2025 C109595
G2503204Certificate of AnalysisJun 11, 2025 C109595
G2503273Certificate of AnalysisJun 11, 2025 C109595
E2508081Certificate of AnalysisMay 14, 2025 C109595
E2529674Certificate of AnalysisApr 11, 2025 C109595
A2506363Certificate of AnalysisJan 13, 2025 C109595
A2503212Certificate of AnalysisJan 06, 2025 C109595
A2508276Certificate of AnalysisJan 06, 2025 C109595
K2413110Certificate of AnalysisNov 20, 2024 C109595
L22151171Certificate of AnalysisSep 18, 2024 C109595
A2418054Certificate of AnalysisDec 25, 2023 C109595
L2404059Certificate of AnalysisDec 25, 2023 C109595
L2402033Certificate of AnalysisDec 25, 2023 C109595
K2412110Certificate of AnalysisDec 25, 2023 C109595
J2320160Certificate of AnalysisOct 16, 2023 C109595
J2320161Certificate of AnalysisOct 16, 2023 C109595
J2320162Certificate of AnalysisOct 16, 2023 C109595
J2320163Certificate of AnalysisOct 16, 2023 C109595
D2122137Certificate of AnalysisJan 17, 2023 C109595
L2213494Certificate of AnalysisDec 30, 2022 C109595
C2226248Certificate of AnalysisMar 01, 2022 C109595
C2226420Certificate of AnalysisMar 01, 2022 C109595
C2226421Certificate of AnalysisMar 01, 2022 C109595
L22151172Certificate of AnalysisMar 01, 2022 C109595
C2226422Certificate of AnalysisMar 01, 2022 C109595
C2310601Certificate of AnalysisMar 01, 2022 C109595
C2226226Certificate of AnalysisMar 01, 2022 C109595
F2215098Certificate of AnalysisMar 01, 2022 C109595
I2322164Certificate of AnalysisMar 01, 2022 C109595
F23171152Certificate of AnalysisMar 01, 2022 C109595
Chemical and Physical Properties
SolubilityMiscible with organic solvents ethyl acetate, acetone.
SensitivityLight and Moisture sensitive;Air sensitive
Refractive Index1.444
Boil Point(°C)60.8°C
Melt Point(°C)-64°C
Molecular Weight120.380 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass118.921 Da
Monoisotopic Mass118.921 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count4
Formal Charge0
Complexity8.000
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
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Reagent Purity Labeling System and Interpretation Principles
Citations of This Product
Solution Calculators
Reviews

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