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4165-60-0

4165-60-0 structural image
Product Name: NITROBENZENE-D5
Formula: C6D5NO2
Synonyms: Pentadeuteronitrobenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear light yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index 179.5
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 128.14 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 128.063412132 g/mol
Monoisotopic Mass 128.063412132 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 102
Isotope Atom Count 5
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Nitrobenzene-d5 is a deuterated compound, a nitroarene and a C-nitro compound.