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13435-46-6

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Basic Information
CAS No.: 13435-46-6
Name: BARIUM CHLORANILATE
Molecular Structure:
Molecular Structure of 13435-46-6 (BARIUM CHLORANILATE)
Formula: C6H2BaCl2O4
Molecular Weight: 344.3
Synonyms: 2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dihydroxy-,bariumsalt(1:1);5-cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dihydroxy-bariumsalt(1:1);LABOTEST-BB LT00454331;BARIUM CHLORANILATE;BARIUM 3,6-DICHLORO-1,4-DIOXO-3,6-CYCLOHEXADIENE-2,5-DIOLATE;CHLORANILIC ACID BARIUM SALT;2,5-DICHLORO-3,6-DIHYDROXY-1,4-BENZOQUINONE BARIUM SALT;2,5-DICHLORO-3,6-DIHYDROXY-P-BENZOQUINONE BARIUM SALT
EINECS: 236-567-8
Boiling Point: 300.3°C at 760 mmHg
Flash Point: 135.4°C
Appearance: brown powder.
Risk Codes: 20/22
Safety: 26-36/37/39
PSA: 80.26000
LogP: 0.90000
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Specification

The 2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dihydroxy-, barium salt (1:1) has CAS registry number 13435-46-6. Its molecular formula is C6H2BaCl2O4 and molecular weight is 346.3096.

Physical properties about the 2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dihydroxy-, barium salt (1:1) are: (1) #H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 74.6 Å2.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation and if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: [Ba+2].OC=1C(=O)C(\Cl)=C(\O)C(=O)C=1Cl
(2) InChI: InChI=1/C6H2Cl2O4.Ba/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2
(3) InChIKey: IPBSAQBBXCGJQG-UHFFFAOYAJ