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9,10-Anthracenedione,1,8-dichloro-(CAS No. 82-43-9)

9,10-Anthracenedione,1,8-dichloro- C14H6Cl2O2 (cas 82-43-9) Molecular Structure

82-43-9 Structure

Identification and Related Records

【Name】
9,10-Anthracenedione,1,8-dichloro-
【Iupac name】
1,8-dichloroanthracene-9,10-dione
【CAS Registry number】
82-43-9
【Synonyms】
Anthraquinone,1,8-dichloro- (6CI,7CI,8CI)
1,8-Dichloro-9,10-anthracenedione
1,8-Dichloro-9,10-anthraquinone
NSC 7209
【EINECS(EC#)】
201-420-9
【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)12-8(13(7)17)4-2-6-10(12)16/h1-6H
【InChIKey】
VBQNYYXVDQUKIU-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl
【MOL File】
82-43-9.mol

Chemical and Physical Properties

【Appearance】
yellow powder
【Density】
1.514 g/cm 3
【Melting Point】
201 - 203 C
【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:350
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 】
26-36/37/39
【Hazard Note】
Irritant
【Safety】

An eye irritant. When heated to decomposition it emits toxic fumes of Cl.
Hazard Note: Irritant
Hazard Codes:
Xi: Irritant
Risk Statements about 1,8-Dichloro-9,10-anthraquinone (82-43-9):
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements about 1,8-Dichloro-9,10-anthraquinone (82-43-9):
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.

【Transport】
25kgs
【Report】

Reported in EPA TSCA Inventory.

Supplier Location

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Telephone:86-571-89925085

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