Basic information
- CAS
642-96-6- Standard SMILES
Oc1ccc(O)c(O)c1O- InChIKey
VERMEZLHWFHDLK-UHFFFAOYSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Overview
Benzene-1,2,3,4-tetrol is a benzenetriol.
Names & identifiers
- Preferred name
- 1,2,3,4-Benzenetetrol
- IUPAC
- benzene-1,2,3,4-tetrol
- English name
- 1,2,3,4-benzenetetrol
- Molecular formula
- C6H6O4
- Molecular weight
- 142.11
Names & synonyms
benzene-1,2,3,4-tetrol1,2,3,4-Benzenetetrol642-96-6DTXSID40343226RefChem:410477DTXCID00294306980-791-5trihydroxyphenol1,2,3,4-tetrahydroxybenzene3,4-dihydroxy-catecholBenzene-1,2,3,4-tetraol1,2,3,4-Benzenetetrol #
Show more names
Rabeprazole Impurity 56Phloroglucinol Impurity 65
SCHEMBL138781SCHEMBL338346SCHEMBL7297406SCHEMBL7306647SCHEMBL29373601CHEBI:193965EN300-1869021
Database identifiers
- CAS
642-96-6- PubChem CID
- 588355
- DTXSID
DTXSID40343226- ChEBI
CHEBI:193965- EC Number
- 980-791-5
- Nikkaji
- J802.033G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 159 · 159-161 °C
- Boiling point
- 421.5 · 421.5±40.0 °C(Predicted)
- Density
- 1.709 · 1.709±0.06 g/cm3(Predicted)
- pka
- 9.12 · 9.12±0.15(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers12 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海纳孚生物科技有限公司021-58952328 13125124762
湖北扬信医药科技有限公司15374522761 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Additional notes
DefinitionChEBI: Benzene-1,2,3,4-tetrol is a benzenetriol.
Related reactions
2 records
Compound notes
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