Chlorobenzene-d5
ALDRICH/176605 - 99 atom % D
Synonym: Pentadeuterochlorobenzene
CAS Number: 3114-55-4
Empirical Formula (Hill Notation): C6D5Cl
Molecular Weight: 117.59
EC Number: 221-482-0
MDL Number: MFCD00000531
Linear Formula: C6D5Cl
Product Type: Chemical
assay | 99% (CP) |
bp | 130-130.5 °C (lit.) |
density | 1.157 g/mL at 25 °C (lit.) |
form | liquid |
InChI | 1S/C6H5Cl/c7-6-4-2-1-3-5- |
InChI key | MVPPADPHJFYWMZ-RALIUCGRSA |
isotopic purity | 99 atom % D |
mass shift | M+5 |
Quality Level | 200 ![]() |
refractive index | n |
SMILES string | [2H]c1c([2H])c([2H])c(Cl) |
technique(s) | GC/MS: suitable |
Application: | May be used as an analytical standard |
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: DQCCortho = 180(2)kHz, ηortho = 0.06(1), DQCCmeta = 174(2)kHz, ηmeta = 0.09(3), DQCCpara= 182(4)kHz, ηPara = 0.06(4)]. |
General description: | Chlorobenzene-d5 may be used as an internal standard for the high molecular weight and low volatility compounds in thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) analysis. |
Packaging: | 1, 5 g in ampule |
Symbol | ![]() ![]() ![]() |
Signal word | Warning |
Hazard statements | H226 - H315 - H332 - H411 |
Precautionary statements | P210 - P233 - P240 - P273 - P303 + P361 + P353 - P304 + P340 + P312 |
Hazard Codes | Xn,N |
Risk Statements | 10-20-51/53 |
Safety Statements | 24/25-61 |
RIDADR | UN1134 - class 3 - PG 3 - Chlorobenzene |
WGK Germany | WGK 3 |
Flash Point(F) | 75.2 °F - closed cup |
Flash Point(C) | 24.0 °C - closed cup |
Purity | 99% (CP) |
bp | 130-130.5 °C (lit.) |
Density | 1.157 g/mL at 25 °C (lit.) |
Refractive Index | n |
UNSPSC | 12142201 |