Basic information
- CAS
22068-49-1- Standard SMILES
Oc1ccc(C2SCCS2)cc1- InChIKey
LTNPCGWCUVDEEY-UHFFFAOYSA-N- Molecular formula
- C9H10OS2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.01730729
Names & identifiers
- Preferred name
- 2-(4-Hydroxyphenyl)-1,3-dithiolane
- IUPAC
- 4-(1,3-dithiolan-2-yl)phenol
- English name
- 4-(1,3-Dithiolan-2-yl)phenol
- Molecular formula
- C9H10OS2
- Molecular weight
- 198.31
Names & synonyms
4-(1,3-dithiolan-2-yl)phenol22068-49-12-(4-Hydroxyphenyl)-1,3-dithiolanePIP8O1R36T2-(4'-hydroxyphenyl)-1,3-dithiolanep-(1,3-Dithiolan-2-yl)phenolPhenol, p-(1,3-dithiolan-2-yl)-UNII-PIP8O1R36TNSC 132849NSC-132849BRN 01411571,3-Dithiolane, 2-(4-hydroxyphenyl)-
Show more names
p-(1,3-dithiolan-2-yl)-pheno2-(4-hydroxyphenyl)-3-dithiolane
DTXSID40176556Phenol, 4-(1,3-dithiolan-2-yl)-PHENOL, P-1,3-DITHIOLAN-2-YL-4-19-00-00740 (Beilstein Handbook Reference)RefChem:84429DTXCID8099047MFCD00068127NSC132849
Database identifiers
- CAS
22068-49-1- PubChem CID
- 97562
- DTXSID
DTXSID40176556- UNII
- PIP8O1R36T
- EC Number
- 681-909-5
- Nikkaji
- J79.331K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 114 °C · 114 °C
- CAS DataBase Reference
- 22068 · 22068-49-1(CAS DataBase Reference)
- FDA UNII
- 8 O1R36T · PIP8O1R36T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Harmful
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352
Chemistry & industry
Suppliers6 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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