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2-Chloro-4-nitrotoluene 97%

CAT: 0286-C16360Size: 200 gDry Ice: NoHazardous: No
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CAT#:0286-C16360Size:200 g
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CAS Number
121-86-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007210
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face 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.

Chemical Information

2-Chloro-4-nitrotoluene

2-chloro-4-nitrotoluene is a nitrotoluene that is p-nitrotoluene in which one of the hydrogens that is ortho to the methyl group has been replaced by a chlorine. A pale yellow crystalline compound that is insoluble in water but dissolves in most organic solvents, it is used in the manufacture of dyes. It is a nitrotoluene and a member of monochlorobenzenes.

CAS Number121-86-8
PubChem CID8491
IUPAC Name2-chloro-1-methyl-4-nitrobenzene
Molecular FormulaC7H6ClNO2
Molecular Weight171.58
XLogP3.4
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey
LLYXJBROWQDVMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-nitrotoluene
CAS: 121-86-8
CID: 8491
Formula: C7H6ClNO2
MW: 171.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.58
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass171.0087061
Monoisotopic Mass171.0087061
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
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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