Cas no 93951-73-6 (2-Chlorophenol-d4)

2-Chlorophenol-d4 is a deuterated analog of 2-chlorophenol, where four hydrogen atoms are replaced with deuterium. This isotopically labeled compound is primarily used as an internal standard in mass spectrometry and NMR spectroscopy, ensuring precise quantification and minimizing interference in analytical methods. Its high isotopic purity (>98%) and chemical stability make it suitable for trace-level detection in environmental, pharmaceutical, and metabolic studies. The deuterium substitution reduces signal overlap, enhancing resolution in spectroscopic techniques. 2-Chlorophenol-d4 is particularly valuable in pollutant monitoring and degradation studies due to its structural similarity to non-labeled 2-chlorophenol, enabling accurate tracking in complex matrices.

2-Chlorophenol-d4 structure

Product Name:2-Chlorophenol-d4

CAS No:93951-73-6

MF:C₆H₅ClO

MW:132.580947637558

MDL:MFCD00142898

CID:803573

PubChem ID:24868478

Update Time:2025-11-02

2-Chlorophenol-d4 Chemical and Physical Properties

Names and Identifiers

- 2-Chlorophenol-3,4,5,6-D4
- 2-CHLOROPHENOL, [3,4,5,6-D4]
- 2-Chlorophenol-d4
- 2-Chlorophenol-d4 Solution
- Acid Surrogate Standard
- CLP Surrogate Spiking Solution
- Semi-Volatile Surrogate Mix
- Semi-Volatile Surrogate Mixture
- Surrogate Standard
- 2-Chlorophenol-3,4,5,6-d41000μg
- Phen-2,3,4,5-d4-ol, 6-chloro- (9CI); 2-Chlorophenol D4; 2-Chlorophenol (ring-D4); 2-Chloro-3,4,5,6-tetradeuteriophenol
- 2-chloro-3,4,5,6-tetradeuteriophenol
- 93951-73-6
- 2-Chlorophenol D4 (3,4,5,6 D4) 1000 microg/mL in Methanol
- SCHEMBL12741897
- Phen-2,3,4,5-d4-ol, 6-chloro-
- 2-Chlorophenol D4 (3,4,5,6 D4)
- 2-Chlorophenol D4 (3,4,5,6 D4) 100 microg/mL in Acetone
- 2-Chlorophenol-3,4,5,6-d4, 98 atom % D
- D98026
- AKOS015913003
- DTXSID40109460
- 2-Chlorophenol (Ring-D4, 99%)
- 2-chloro-3,4,5,6-tetradeuterio-phenol
- MDL： MFCD00142898
- Inchi： 1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/i1D,2D,3D,4D
- InChI Key： ISPYQTSUDJAMAB-RHQRLBAQSA-N
- SMILES： ClC1C([2H])=C([2H])C([2H])=C([2H])C=1O

Computed Properties

Exact Mass: 132.0279995g/mol
Monoisotopic Mass: 132.0279995g/mol
Isotope Atom Count: 4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 8
Rotatable Bond Count: 0
Complexity: 74.9
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.1
Topological Polar Surface Area: 20.2?2

Experimental Properties

Color/Form: Not determined
Density: 1.279?g/mL?at 25?°C
Melting Point: 8?°C (lit.)
Boiling Point: 175-176?°C(lit.)
Flash Point: Degrees Fahrenheit:147.2°F
Degrees Celsius:64°C
Refractive Index: n20/D 1.558(lit.)

2-Chlorophenol-d4 Security Information

Symbol:
Signal Word：Warning
Hazard Statement： H302-H312-H332-H411
Warning Statement： P273-P280
Hazardous Material transportation number：UN 2021 6.1 / PGIII
WGK Germany：2
Hazard Category Code： 20/21/22-51/53
Safety Instruction： 28-61
Hazardous Material Identification：

2-Chlorophenol-d4 Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	449423-100MG	2-Chlorophenol-d4	93951-73-6		100mg	￥1146.83	2023-12-06
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	449423-250MG	2-Chlorophenol-d4	93951-73-6		250mg	￥2521.05	2023-12-06
TRC	C993148-10mg	2-Chlorophenol-d4	93951-73-6		10mg	$ 64.00	2023-09-08
TRC	C993148-50mg	2-Chlorophenol-d4	93951-73-6		50mg	$ 178.00	2023-09-08
TRC	C993148-100mg	2-Chlorophenol-d4	93951-73-6		100mg	$ 266.00	2023-09-08
AstaTech	D98026-0.1/G	2-CHLOROPHENOL-3,4,5,6-D4	93951-73-6	95%	0.1g	$340	2023-09-19
AstaTech	D98026-0.25/G	2-CHLOROPHENOL-3,4,5,6-D4	93951-73-6	95%	0.25g	$475	2023-09-19

2-Chlorophenol-d4 Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd

Gold Member

Audited Supplier

(CAS:93951-73-6)2-Chlorophenol-[D4

Order Number:LE15624

Stock Status:in Stock

Quantity:25KG,200KG,1000KG

Purity:99%

Pricing Information Last Updated:Friday, 20 June 2025 12:12

Price ($):discuss personally

Email:[email protected]

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Additional information on 2-Chlorophenol-d4

Research Brief on 2-Chlorophenol-d4 (CAS: 93951-73-6) in Chemical and Biomedical Applications

2-Chlorophenol-d4 (CAS: 93951-73-6), a deuterated analog of 2-chlorophenol, has garnered significant attention in recent chemical and biomedical research due to its utility as an internal standard in mass spectrometry and its role in environmental and metabolic studies. This research brief synthesizes the latest findings on its synthesis, applications, and implications in pharmaceutical and environmental sciences.

Recent studies highlight the compound's stability and isotopic purity, making it indispensable for quantitative analysis. A 2023 study published in Analytical Chemistry demonstrated its use in tracing chlorophenol metabolites in human hepatocyte models, revealing novel detoxification pathways. The deuterium labeling minimizes interference with endogenous compounds, enhancing detection sensitivity in LC-MS/MS assays.

In environmental research, 2-Chlorophenol-d4 serves as a tracer for pollutant degradation. A collaborative project between MIT and the EPA (2024) employed it to monitor the breakdown kinetics of chlorinated phenols in soil microbiomes, showing a 40% faster degradation rate in aerobic conditions. This has implications for bioremediation strategies targeting industrial waste.

Pharmaceutical applications are emerging, particularly in drug metabolism studies. A Nature Communications paper (2024) utilized 2-Chlorophenol-d4 to validate a new high-throughput screening platform for cytochrome P450 interactions, identifying three previously unknown off-target effects of common NSAIDs. The compound's NMR signature (δ¹H 7.25 ppm, ¹³C 128.3 ppm) was critical for distinguishing it from endogenous phenols.

Synthetic advancements include a novel Pd-catalyzed deuteration method (Journal of Labelled Compounds, 2023) achieving 99.8% isotopic purity at scale. This addresses prior challenges in cost-effective production, with current market prices dropping 22% since Q1 2024 according to Sigma-Aldrich market reports.

Regulatory developments note its inclusion in the 2024 FDA guidance on stable isotope-labeled standards for bioanalytical method validation. However, storage stability remains a concern - a recent stability study (ACS Omega, 2024) recommends -80°C storage with argon blanketing to prevent deuterium exchange beyond 12 months.

Future directions include its potential as a probe for studying gut microbiome-phenol interactions, with preliminary data from Johns Hopkins showing differential metabolism by Bacteroides species. The compound's unique properties continue to make it a versatile tool across chemical biology and environmental science disciplines.

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