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Chemical Product CAS:60468-54-4Benzene,1-(chloromethyl)-2-methyl-3-nitro-

CAS:60468-54-4
Benzene,1-(chloromethyl)-2-methyl-3-nitro-

  • CAS No:

    60468-54-4
  • Name:

    Benzene,1-(chloromethyl)-2-methyl-3-nitro-
  • Molecular Formula:

    C8H8 Cl N O2
  • Molecular Weight:

    185.6076
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Benzene,1-(chloromethyl)-2-methyl-3-nitro- ( CASNO:60468-54-4 )

Identification and Related Records
Name:
Benzene,1-(chloromethyl)-2-methyl-3-nitro-
CAS Registry number:
60468-54-4
Iupac name:
1-(chloromethyl)-2-methyl-3-nitrobenzene
Synonyms:
1-Chloromethyl-2-methyl-3-nitrobenzene
2-Methyl-3-nitrobenzyl chloride
a1-Chloro-3-nitro-o-xylene
EINECS(EC#):
262-249-3
Molecular Formula:
C8H8 Cl N O2
Molecular Weight:
185.6076
Inchi:
InChI=1/C8H8ClNO2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3
Canonical SMILES:
CC1=C(C=CC=C1[N+](=O)[O-])CCl
Chemical and Physical Properties
Appearance:
yellow-brown chunks
Density:
1.277 g/cm3
Melting Point:
43-46 °C(lit.)
Boiling Point:
299.7 °C at 760 mmHg
Refractive Index:
1.566
Flash Point:
135.1 °C
Solubilities:
Insoluble
Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage temp:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
Computed Properties:
Molecular Weight:185.60762 [g/mol]
Molecular Formula:C8H8ClNO2
XLogP3:2.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:185.024356
MonoIsotopic Mass:185.024356
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Formal Charge:0
Complexity:169
Isotope Atom Count:0
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
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2
Safety and Handling
Hazard Codes:
C: Corrosive;
Risk Statements:
R34
Safety Statements:
26-27-28-36/37/39-45
HazardClass:
8
Safety:
Hazard Codes: C
Risk Statements:
34:  Causes burns
36:  Irritating to the eyes
37:  Irritating to the respiratory system
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:  Take off immediately all contaminated clothing
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
PackingGroup:
III
Transport:
UN 3261
Specification:
 2-Methyl-3-nitrobenzyl chloride (60468-54-4) also can be called for alpha-chloro-2-methyl-3-nitrotoluene ;1-(Chloromethyl)-2-methyl-3-nitrobenzene ; a1-Chloro-3-nitro-o-xylene;a-Chloro-2-methyl-3-nitrotoluene ; Benzene, 1-(chloromethyl)-2-methyl-3-nitro- (9CI) .It is hazardous compound,so the first aid measures and others should be known .Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing.Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration While not breathing. when breathing is difficult, give oxygen.And as soon as to get medical aid .Then you have the ingesting of the product : Do not induce vomiting.If victim is conscious and alert, give 2-4 cupfuls of milk or water, and get medical aid immediately.
In addition, 2-Methyl-3-nitrobenzyl chloride (60468-54-4) is not compatible with moisture, bases, amines, alcohols, steel ,and you must not take it with incompatible materials and moisture .And also prevent it to broken down into hazardous decomposition products: oxides of nitrogen ,carbon dioxide ,carbon monoxide, hydrogen chloride.
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