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  • 2-Chloro-6-fluorobenzyl chloride
Name:2-Chloro-6-fluorobenzyl chloride
CAS No:55117-15-2

PRODUCT DESCRIPTION

【Name】
2-Chloro-6-fluorobenzyl chloride
【Iupac name】
1-chloro-2-(chloromethyl)-3-fluorobenzene
【CAS Registry number】
55117-15-2
【Synonyms】
alpha,2-Dichloro-6-fluorotoluene
2-Chloro-6-Fluorochlorobenzyl
1-Chloro-2-(chloromethyl)-3-fluorobenzene
【EINECS(EC#)】
259-487-5
【Molecular Formula】
C7H5Cl2F (Products with the same molecular formula)
【Molecular Weight】
179.02
【Inchi】
InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)CCl)F
【MOL File】
55117-15-2.mol

Chemical and Physical Properties

【Appearance】
clear, colorless
【Density】
1.401
【Melting Point】
7℃
【Boiling Point】
208-210℃
【Refractive Index】
1.536-1.538
【Flash Point】
93℃
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture.
【Computed Properties】
Molecular Weight:179.019003 [g/mol]
Molecular Formula:C7H5Cl2F
XLogP3-AA:3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:177.975234
MonoIsotopic Mass:177.975234
Topological Polar Surface Area:0
Heavy Atom Count:10
Formal Charge:0
Complexity:108
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 Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
C:Corrosive;N:Dangerousfortheenvironment;
【Risk Statements】
R34;R51/53
【Safety Statements 】
S26;S36/37/39;S45;S61
【HazardClass】
8
【Hazard Note】
Corrosive/Lachrymatory
【Safety】

Hazard Codes CorrosiveC,IrritantXi,DangerousN 
Risk Statements 34-51/53
R34:Causes burns. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
Safety Statements 26-36/37/39-45-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
RIDADR UN 3265 8/PG 2
WGK Germany 3
Hazard Note Corrosive/Lachrymatory 
TSCA T 
HazardClass 8 
PackingGroup III

【PackingGroup 】
III
【Sensitive】
Lachrymatory
【Transport】
UN 3265

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