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2-Chloro-6-nitrotoluene 98%

CAT: 0286-C16370-01Size: 250 gDry Ice: NoHazardous: Yes
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CAT#:0286-C16370-01Size:250 g
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CAS Number
83-42-1
Synonyms
1-Chloro-2-methyl-3-nitrobenzene
UN Code
UN3457
Pictogram
06 - Acute Toxicity; 07 - Irritant; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007205
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation; H373 Causes damage to organs through prolonged or repeated exposure; H411 Toxic to aquatic life with long-lasting effects.
DOT Name
Chloronitrotoluenes, Solid
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P271 Use only outdoors or in a well-ventilated area; P273 Avoid release to the environment; 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; P314 Get medical advice/attention if you feel unwell; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P391 Collect spillage. Hazardous to the aquatic environment; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

2-Chloro-6-nitrotoluene

2-chloro-6-nitrotoluene is a nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 C) solid. It is a volatile organic compound, a nitrotoluene and a member of monochlorobenzenes.

CAS Number83-42-1
PubChem CID6740
IUPAC Name1-chloro-2-methyl-3-nitrobenzene
Molecular FormulaC7H6ClNO2
Molecular Weight171.58
XLogP3.1
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=CC=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChIKey
XCSNRORTQRKCHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6-nitrotoluene
CAS: 83-42-1
CID: 6740
Formula: C7H6ClNO2
MW: 171.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.58
XLogP33.1
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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