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  • 2,6-Dichloroaniline
Name:2,6-Dichloroaniline
CAS No:608-31-1

PRODUCT DESCRIPTION

【Name】
2,6-Dichloroaniline
【CAS Registry number】
608-31-1
【Synonyms】
2,6-dichlorobenzenamine
【EINECS(EC#)】
210-160-5
【Molecular Formula】
C6H5Cl2N (Products with the same molecular formula)
【Molecular Weight】
162.02
【Inchi】
InChI=1/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)N)Cl
【MOL File】
608-31-1.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1
【Melting Point】
35-39℃
【Boiling Point】
228℃
【Flash Point】
118℃
【Water】
1.6 g/L (20℃)
【Solubilities】
insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29214210
【Storage temp】
Keep away from heat, sparks, and flame. Store in a cool place in the original container and protect from sunlight. Store in a tightly closed container. Store in a dry area. Do not exceed 25-30C.
【Computed Properties】
Molecular Weight:162.0166 [g/mol]
Molecular Formula:C6H5Cl2N
XLogP3:2.8
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:160.979905
MonoIsotopic Mass:160.979905
Topological Polar Surface Area:26
Heavy Atom Count:9
Formal Charge:0
Complexity:87.1
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 Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R23/24/25;R33;R50/53
【Safety Statements 】
S28;S36/37;S45;S60;S61
【HazardClass】
6.1
【Hazard Note】

Irritant

【PackingGroup 】
II
【Transport】
UN 3442

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