Basic information
- CAS
7735-56-0- Standard SMILES
O=c1oc2ccc(O)cc2s1- InChIKey
HDSYJLOFQVPBJM-UHFFFAOYSA-N- Molecular formula
- C7H4O3S
- Average molar mass
- 168.17 g/mol
- Monoisotopic mass
- 167.98811499
Names & identifiers
- Preferred name
- 1,3-Benzoxathiol-2-one, 5-hydroxy-
- IUPAC
- 5-hydroxy-1,3-benzoxathiol-2-one
- English name
- 5-HYDROXY-1,3-BENZOXATHIOL-2-ONE
- Molecular formula
- C7H4O3S
- Molecular weight
- 168.17
Names & synonyms
7735-56-01,3-Benzoxathiol-2-one, 5-hydroxy-5-hydroxy-2H-1,3-benzoxathiol-2-oneDTXSID50228075RefChem:413869DTXCID70150566973-913-35-Hydroxy-1,3-benzoxathiol-2-one5-Hydroxybenzo[d][1,3]oxathiol-2-oneMFCD004602085-hydroxybenzo[d]1,3-oxathiolan-2-one5-Hydroxy-benzo[1,3]oxathiol-2-one
Show more names
AURORA 23335AKOS AU36-M223AKOS BBS-00002901CHEMBRDG-BB 4003733IFLAB-BB F1918-0053TIMTEC-BB SBB012368OTAVA-BB 0124140098OTAVA-BB BB01241400985-Hydroxy-1,3-benzoxathiole-2-one
SCHEMBL2101251SCHEMBL2641278SCHEMBL30273047HDSYJLOFQVPBJM-UHFFFAOYSA-NHMS1616O20SMSSF-0044159ALBB-016086SBB012368
Database identifiers
- CAS
7735-56-0- PubChem CID
- 139067
- DTXSID
DTXSID50228075- EC Number
- 973-913-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 173 · 173-175 °C
- Boiling point
- 375.4 · 375.4±44.0 °C(Predicted)
- Density
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.46 · 8.46±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers17 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
浙江寿尔福化工贸易有限公司0571-88906230 · [email protected]
南昌致晖合逸新材料有限公司18679828511 · [email protected]
Capot Chemical Co., Ltd
Related reactions
17 records
Compound notes
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