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Nitrobenzene-d5

Nitrobenzene-d5 structure

CAS No:
4165-60-0
Formula:
C6D5NO2
Chemical Name:
Nitrobenzene-d5
Synonyms:
Benzene-1,2,3,4,5-d5,6-nitro-;Benzene-d5,nitro-;6-Nitrobenzene-1,2,3,4,5-d5;Perdeuteronitrobenzene;Pentadeuterionitrobenzene;Nitrobenzene-d5;1,2,3,4,5-Pentadeuterio-6-nitrobenzene
Categories:
Chemical Reagents > Deuterated Reagents

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Description

clear colourless to yellow liquid

Nitrobenzene-d5 Basic Attributes

Molecular Weight：

128.14

Exact Mass：

128.06300

EC Number：

224-014-3

DSSTox ID：

DTXSID6049690

HScode：

28459000

Characteristics

PSA：

45.8

XLogP3：

2.11800

Appearance：

Clear colorless to yellow Liquid

Density：

1.2533 g/cm³ @ Temp: 25 °C

Melting Point：

6°C

Boiling Point：

215-217 °C @ Press: 711 Torr

Flash Point：

190 °F

Refractive Index：

n20/D 1.5498(lit.)

Storage Conditions：

2-8°C

Explosive limit：

1.8-40%(V)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 1662 6.1/PG 2

wgk germany：

hazard class code：

23/24/25-40-48/23/24-51/53-62-63-43-36/37/38-45-52/53-48/23/24/25-60-67

safety instructions：

28-36/37-45-61-24/25-23-53-26

Marks：

T,N,Xn

Stability/Shelf Life：

Stable. Hygroscopic. Combustible. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.

Precautionary statement(s)：

P280-P305 + P351 + P338-P337 + P313

Hazard Statements：

H315-H319-H335-H336-H351-H373

GHS Classification：

|Danger|H301+H311+H331 (82.61%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P260, P261, P264, P270, P271, P273, P280, P281, P284, P301+P310, P302+P352, P304+P340, P308+P313, P310, P311, P312, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Nitrobenzene-d5 Use and Manufacturing

Labelled Nitrobenzene, used mainly in the production of the chemical precursor aniline.

Computed Properties

Molecular Weight:128.14
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:128.063412132
Monoisotopic Mass:128.063412132
Topological Polar Surface Area:45.8
Heavy Atom Count:9
Complexity:102
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes