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Key Documents

269751

Sigma-Aldrich

Nitrobenzene-d5

99.5 atom % D

Synonym(s):

Pentadeuteronitrobenzene

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About This Item

Empirical Formula (Hill Notation):
C6D5NO2
CAS Number:
Molecular Weight:
128.14
Beilstein:
1455693
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:

isotopic purity

99.5 atom % D

Quality Level

Assay

99% (CP)

expl. lim.

0.34-6.3 % (lit.)

packaging

pk of 10 × 1 mL

technique(s)

NMR: suitable

refractive index

n20/D 1.5498 (lit.)

bp

88 °C/12 mmHg (lit.)

mp

6 °C (lit.)

density

1.253 g/mL at 25 °C (lit.)

mass shift

M+5

SMILES string

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

InChI

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

InChI key

LQNUZADURLCDLV-RALIUCGRSA-N

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Pictograms

Skull and crossbonesHealth hazard

Signal Word

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 Inhalation

Target Organs

Blood

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

190.4 °F

Flash Point(C)

88 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH SVHC Candidate List

CAS No.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number

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The Journal of Organic Chemistry, 57, 528-528 (1992)

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