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1,4-Dichloro-1,3-Cyclohexadien-5-Yne
[CAS 73513-56-1]

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Identification
Name 1,4-Dichloro-1,3-Cyclohexadien-5-Yne
Synonyms D56829_Aldrich; 1,4 Dichlorobenzene; Nchembio791-Comp2
Molecular Structure CAS#: 73513-56-1, 1,4-Dichloro-1,3-Cyclohexadien-5-Yne
Molecular Formula C6H4Cl2
Molecular Weight 147.00
CAS Registry Number 73513-56-1
SMILES C1=C(C=CC(=C1)Cl)Cl
InChI 1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey OCJBOOLMMGQPQU-UHFFFAOYSA-N
Properties
Density 1.248 (Expl.)
1.3±0.1g/cm3 (Cal.)
Melting point 53°C (Expl.)
Boiling point 173.8889°C (Expl.)
174.119°C at 760 mmHg (Cal.)
Flash point 60.7±13.4°C (Cal.)
65.5556°C (Expl.)
solubility 0.008%
Safety Data
Safety Code S36/37;S46;S60;S61  Details
Risk Code R36;R40;R50/53  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN3077
Safety Description WARNING: Irreversible damage risk, protect skin/eyes/lungs.
Safety glasses, gloves, adequate ventilation.
References
(1) Harini Kaluarachchi, Kim C. Chan Chung and Deborah B. Zamble. Microbial nickel proteins, Nat. Prod. Rep., 2010, 27, 681.
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