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Merck
CN

522104

Benzene-D6

99.6 atom % D

Synonym(s):

Hexadeuterobenzene

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About This Item

Empirical Formula (Hill Notation):
C6D6
CAS Number:
1076-43-3
Molecular Weight:
84.15
EC Number:
214-061-8
UNSPSC Code:
12142201
PubChem Substance ID:
24874252
Beilstein/REAXYS Number:
1905426
MDL number:
MFCD00003010

Key Documents

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InChI key

UHOVQNZJYSORNB-MZWXYZOWSA-N

InChI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

SMILES string

[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]

isotopic purity

99.6 atom % D

assay

≥99.0%

expl. lim.

0.34-6.3 % (lit.)

impurities

≤0.01% 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

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signalword

Danger

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKBH9087V
MKBH9341V
MKBG6299V
MKBF2033V
MKBD5315

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Xiaoyong Lu et al.
Molecules (Basel, Switzerland), 19(9), 14292-14303 (2014-09-13)
Gated molecular encapsulations, with baskets of type 1, are postulated to occur by the mechanism in which solvent molecule penetrates the inner space of 1, through one of its apertures, while the residing guest simultaneously departs the cavity. In the
Zachariah M Norman et al.
ACS nano, 8(7), 7513-7521 (2014-06-25)
We report the evolution of electrical transport and grain size during the sintering of thin films spin-cast from soluble phosphine and amine-bound, chloride-terminated cadmium selenide nanocrystals. Sintering of the nanocrystals occurs in three distinct stages as the annealing temperature is
Alejandro G Lichtscheidl et al.
Dalton transactions (Cambridge, England : 2003), 44(36), 16156-16163 (2015-08-22)
The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data ((1)H, (13)C{(1)H} and (119)Sn{(1)H}), for a series of Me3SnX (X = O-2,6-(t)Bu2C6H3 (), (Me3Sn)N(2,6-(i)Pr2C6H3) (), NH-2,4,6-(t)Bu3C6H2 (), N(SiMe3)2 (), NEt2, C5Me5 (), Cl, Br, I, and SnMe3) compounds in
Ursula J Williams et al.
Dalton transactions (Cambridge, England : 2003), 43(43), 16197-16206 (2014-08-26)
The trivalent compound K[Ce[N(SiHMe2)2]4] was synthesized and oxidized, providing a convenient route to the reported cerium(IV) compound Ce[N(SiHMe2)2]4. Protonolysis reactions of Ce[N(SiHMe2)2]4 with tert-butanol, substituted benzyl alcohols, and 2,6-diphenylphenol yielded the neutral tetravalent compounds Ce(O(t)Bu)4(py)2, Ce2(OCH2C6R5)8(thf)2 (R = Me, F)

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