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2,4-Dimethyl-1-nitrobenzene

CAT: 0286-D42445-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-D42445-01Size:100 g
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CAS Number
89-87-2
UN Code
UN1665
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007169
Hazard Statement
H302 Harmful if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation.
DOT Name
Nitroxylenes, Liquid
DOT Classification
Class 6.1
Packaging Group
PGII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P271 Use only outdoors or in a well-ventilated area; P280 Wear protective gloves/protective clothing/eye protection/face protection; P284 Wear respiratory protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

4-Nitro-m-xylene

1,3-dimethyl-4-nitrobenzene is a light yellow to amber liquid. (NTP, 1992)

CAS Number89-87-2
PubChem CID6991
IUPAC Name2,4-dimethyl-1-nitrobenzene
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP2.7
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
CC1=CC(=C(C=C1)[N+](=O)[O-])C
InChI
InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3
InChIKey
BBUPBICWUURTNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitro-m-xylene
CAS: 89-87-2
CID: 6991
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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ACA53674-012-Methoxy-1,3-dimethyl-4-nitrobenzene
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