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9,10-Anthracenedione,1,5-dichloro-(CAS No. 82-46-2)

9,10-Anthracenedione,1,5-dichloro- C14H6Cl2O2 (cas 82-46-2) Molecular Structure

82-46-2 Structure

Identification and Related Records

【Name】
9,10-Anthracenedione,1,5-dichloro-
【CAS Registry number】
82-46-2
【Synonyms】
Anthraquinone,1,5-dichloro- (6CI,7CI,8CI)
1,5-Dichloro-9,10-anthracenedione
1,5-Dichloro-9,10-anthraquinone
NSC 13969
【EINECS(EC#)】
201-424-0
【Molecular Formula】
C14H6Cl2O2 (Products with the same molecular formula)
【Molecular Weight】
277.10
【Inchi】
InChI=1/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H
【InChIKey】
MQIUMARJCOGCIM-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C(=CC=C3)Cl
【MOL File】
82-46-2.mol

Chemical and Physical Properties

【Appearance】
yellow powder
【Density】
1.514 g/cm3
【Melting Point】
245-250℃
【Refractive Index】
1.671
【Flash Point】
191.7 °C
【Water】
Slightly soluble AUTOIGNITION
【Solubilities】
Slightly soluble AUTOIGNITION
【Computed Properties】
Molecular Weight:277.10224 [g/mol]
Molecular Formula:C14H6Cl2O2
XLogP3-AA:4.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:275.974485
MonoIsotopic Mass:275.974485
Topological Polar Surface Area:34.1
Heavy Atom Count:18
Formal Charge:0
Complexity:346
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 Ring Count:3
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
UN NO.
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Transport】
25kgs

Supplier Location

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Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
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Telephone:86-311-80955068
Raw materials

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