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Merck
CN

308846

Nitrobenzene-d5

99.5 atom % D

Synonym(s):

Pentadeuteronitrobenzene

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About This Item

Empirical Formula (Hill Notation):
C6D5NO2
CAS Number:
4165-60-0
Molecular Weight:
128.14
EC Number:
224-014-3
UNSPSC Code:
12142201
PubChem Substance ID:
24858693
Beilstein/REAXYS Number:
1455693
MDL number:
MFCD00044415

Key Documents

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InChI key

LQNUZADURLCDLV-RALIUCGRSA-N

InChI

1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

SMILES string

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])[N+]([O-])=O

isotopic purity

99.5 atom % D

packaging

pk of 5 × 0.5 mL

refractive index

n20/D 1.5498 (lit.)

bp

88 °C/12 mmHg (lit.)

density

1.253 g/mL at 25 °C (lit.)

mass shift

M+5

Quality Level

200

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pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Carc. 2 - Repr. 1B - STOT RE 1

target_organs

Blood

Storage Class

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88.0 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
05423PV
10757AE
14205EN
08808MF
06947CU

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