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Barium chloranilate

Barium chloranilate structure

CAS No:
13435-46-6
Formula:
C6H2Cl2O4.Ba
Chemical Name:
Barium chloranilate
Synonyms:
2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dihydroxy-,barium salt (1:1);p-Benzoquinone,2,5-dichloro-3,6-dihydroxy-,barium salt (1:1);Barium,[(3,6-dichloro-p-benzoquinon-2,5-ylene)dioxy]-;p-Benzoquinone,2,5-dichloro-3,6-dihydroxy-,barium deriv.;Barium chloranilate
Categories:
Organic Chemistry > Organometalate

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Barium chloranilate Basic Attributes

Molecular Weight：

344.29

Exact Mass：

343.822601

EC Number：

236-567-8

DSSTox ID：

DTXSID3065455

HScode：

2918300090

Characteristics

PSA：

80.3

XLogP3：

0.90000

Appearance：

brown powder.

Boiling Point：

300.3ºC at 760 mmHg

Flash Point：

135.4ºC

Vapor Pressure：

0.000111mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

1564

hazard class code：

20/22

safety instructions：

26-36/37/39

Stability/Shelf Life：

Stable.

Precautionary statement(s)：

P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Barium chloranilate Use and Manufacturing

Manufacturing Info：

2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1): ACTIVE

Computed Properties

Molecular Weight:344.29
Hydrogen Bond Acceptor Count:4
Exact Mass:343.822611
Monoisotopic Mass:343.822611
Topological Polar Surface Area:80.3
Heavy Atom Count:13
Complexity:275
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes