ChemicalBook--->CAS DataBase List--->3114-55-4

3114-55-4

3114-55-4 Structure

3114-55-4 Structure
IdentificationMore
[Name]

CHLOROBENZENE-D5
[CAS]

3114-55-4
[Synonyms]

CHLOROBENZENE-D5
chloro(2H5)benzene
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
Chlorobenzene-d5, 98.5+ atom % D, for NMR
Benzene-d5, chloro-
chlorobenzene-d5 solution
pentadeuterochlorobenzene
Chlorobenzene-D5 >99.0 Atom % D
Chlorobenzene-d6, 99% (Isotopic)
Chlorobenzene-d5, 99% (Isotopic)
(2H5)Phenyl chloride
1-Chloro(2,3,4,5,6-2H5)benzene
6-Chloro(1,2,3,4,5-2H5)benzene
[EINECS(EC#)]

221-482-0
[Molecular Formula]

C6ClD5
[MDL Number]

MFCD00000531
[Molecular Weight]

117.59
[MOL File]

3114-55-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
[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,F,T
[Risk Statements ]

R10:Flammable.
R20:Harmful by inhalation.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
[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
Hazard InformationBack Directory
[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: DQCCortho = 180(2)kHz, ηortho = 0.06(1), DQCCmeta = 174(2)kHz, ηmeta = 0.09(3), DQCCpara= 182(4)kHz, ηPara = 0.06(4)].
Spectrum DetailBack Directory
[Spectrum Detail]

CHLOROBENZENE-D5(3114-55-4)Raman
CHLOROBENZENE-D5(3114-55-4)FT-IR
CHLOROBENZENE-D5(3114-55-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Chlorobenzene-d5, 98.5+ atom % D, for NMR(3114-55-4)
[Alfa Aesar]

Chlorobenzene-d5, 99% (Isotopic)(3114-55-4)
[Sigma Aldrich]

3114-55-4(sigmaaldrich)
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