CHLOROBENZENE-D5 CAS 3114-55-4

Introduction：Basic information about CHLOROBENZENE-D5 CAS 3114-55-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

CHLOROBENZENE-D5 Basic information

• Product Name: CHLOROBENZENE-D5
• Synonyms: Chlorobenzene-d5, 99 atoM%D;Chlorobenzene-d5, Isotopic;1-chloro-2,3,4,5,6-pentadeuteriobenzene;CHLOROBENZENE-D5, 500MG, NEAT;CHLOROBENZENE-D5, 1X1ML, MEOH, 2000UG/ML;CHLOROBENZENE-D5, 1X1ML, MEOH, 5000UG/ML;CHLOROBENZENE-D5 98.5 PLUS ATOM % D;CHLOROBENZENE-D5, 98.5 ATOM % D
• CAS: 3114-55-4
• MF: C6ClD5
• MW: 117.59
• EINECS: 221-482-0
• Product Categories: Alpha Sort;C;CAlphabetic;CH;Volatiles/ Semivolatiles
• Mol File: 3114-55-4.mol

CHLOROBENZENE-D5 Chemical Properties

• Boiling point: 130-130.5 °C (lit.)
• density: 1.157 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.522(lit.)
• Fp: 75 °F
• storage temp.: 2-8°C
• solubility: soluble in Chloroform, Ethyl Acetate
• form: Solid
• color: White
• Water Solubility: Not miscible with water.
• BRN: 1866335
• InChI: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
• InChIKey: MVPPADPHJFYWMZ-RALIUCGRSA-N
• SMILES: ClC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]
• CAS DataBase Reference: 3114-55-4(CAS DataBase Reference)
• EPA Substance Registry System: Chlorobenzene-d5 (3114-55-4)
• CAS Number Unlabeled: 108-90-7

Safety Information

• Hazard Codes: Xn,N,F,T
• Risk Statements: 10-20-51/53-39/23/24/25-23/24/25-11
• Safety Statements: 24/25-61-45-36/37-16-7
• RIDADR: UN 1134 3/PG 3
• WGK Germany: 2
• F: 10
• HazardClass: 3
• PackingGroup: III
• HS Code: 28459000
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Acute Tox. 4 Inhalation Aquatic Chronic 2 Flam. Liq. 3 Skin Irrit. 2

CHLOROBENZENE-D5 Usage And Synthesis

Chemical Properties

clear colorless liquid

Uses

Chlorobenzene-d5 is a halogenated D5 chlorobenzene for proteomics research. It is a precursor to deuterated dyes and rubbers. It is used as a high-boiling solvent in industrial applications.

General Description

Chlorobenzene-d₅ is a deuterated derivative of chlorobenzene having an isotopic purity of 99atom%D. ¹HNMR (Proton Nuclear Magnetic Resonance) and ²HNMR (Deuterium NMR) spectra of chlorobenzene-d₅ were studied in liquid crystal solvents to evaluate the quadrupolar coupling constants (DQCC) and the asymmetry parameters (η) for the deuterons. Values reported were as: DQCC^ortho = 180(2)kHz, η^ortho = 0.06(1), DQCC^meta = 174(2)kHz, η^meta = 0.09(3), DQCC^para= 182(4)kHz, η^Para = 0.06(4)].