Basic information
- CAS
13435-46-6- Standard SMILES
O=C1C([O-])=C(Cl)C(=O)C([O-])=C1Cl.[Ba+2]- InChIKey
IPBSAQBBXCGJQG-UHFFFAOYSA-L- Molecular formula
- C6BaCl2O4
- Average molar mass
- 344.29 g/mol
- Monoisotopic mass
- 343.822611
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1)
- IUPAC
- barium(2+);2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
- English name
- BARIUM CHLORANILATE
- Molecular formula
- C6BaCl2O4
- Molecular weight
- 344.29
Names & synonyms
13435-46-6Barium chloroanilinate2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1)EINECS 236-567-8DTXSID3065455RefChem:82730DTXCID7034206UN15642,5Cyclohexadiene1,4dione, 2,5dichloro3,6dihydroxy, barium salt (1:1)236-567-8Barium ChloranilateChloranilic Acid Barium Salt
Show more names
barium(2+)BariumChloroanilate4-hydroxyheptanoateBariumChloranilateGrBarium ChlorAanilateLABOTEST-BB LT00454331Bariumchloranilate3H2O
Barium 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)barium(2+);2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolateC6BaCl2O4SCHEMBL5081814BARIUM CHLORANILATE, REAGIPBSAQBBXCGJQG-UHFFFAOYSA-LBarium 3,6-Dichloro-1,4-dioxo-3,6-cyclohexadiene-2,5-diolatebarium(2+);2,5-dichloro-3,6-dioxo-cyclohexa-1,4-diene-1,4-diolate
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Chemical ClassesMetals -> Metals, Inorganic Compounds
Physical DescriptionBrown powder; [MSDSonline]
Physicochemical properties
- Stability
- Stable.
- CAS DataBase Reference
- 13435 · 13435-46-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1) (13435-46-6)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P301+P310+P330-P304+P340+P311-P403+P233-P405-P501
- Risk Statements
- 20 · 20/22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1564 · 1564
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1)
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1): Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryHarmful by ingestion or inhalation; An irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety & protection
Exposure Control and Personal Protection0.5 [mg/m3], as Ba, inhalable fraction(soluble compds)[German Research Foundation (DFG)]
Threshold Limit Values (TLV)0.5 [mg/m3], as Ba
Permissible Exposure Limit (PEL)0.5 [mg/m3], as Ba
Immediately Dangerous to Life or Health (IDLH)50.0 [mg/m3], as Ba
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1): ACTIVE
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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