Description
Benzene-d6
99.6 atom % D, contains 0.03 % (v/v) TMS
Synonym(s):
Hexadeuterobenzene
Empirical Formula (Hill Notation):
C6D6
CAS Number:
1076-43-3
Molecular Weight:
84.15
Beilstein:
1905426
EC Number:
214-061-8
MDL number:
MFCD00003010
PubChem Substance ID:
24862469
NACRES:
NA.21
PROPERTIES
isotopic purity
99.6 atom % D
Assay
99% (CP)
form
liquid
contains
0.03 % (v/v) TMS
expl. lim.
0.34-6.3 % (lit.)
technique(s)
NMR: suitable
impurities
≤0.0100% water
water
refractive index
n20/D 1.497 (lit.)
bp
79.1 °C/760 mmHg (lit.)
mp
6.8 °C (lit.)
density
0.950 g/mL at 25 °C (lit.)
mass shift
M+6
SMILES string
[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI
1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key
UHOVQNZJYSORNB-MZWXYZOWSA-N
DESCRIPTION
General description
Benzene-d6 (C6D6) is deuterated benzene. Its Soret coefficient S(T) has been measured by transient holographic grating technique.[1] Its synthesis,13C NMR, IR and MS spectra have been reported.[2][3]
Application
Benzene-d6 (C6D6) may be used in the following:
- Synthesis of isotopically labeled samples.[4]
- As a 1H and 13C-NMR solvent.[5][6]
- In the internal calibration of benzene stock solution.[7]
SAFETY INFORMATION
Signal Word
Danger
Hazard Statements
H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412
Precautionary Statements
P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
Target Organs
Blood
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
12.2 °F - closed cup
Flash Point(C)
-11 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves