2-Mercaptobenzene-1,4-diol
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Basic information
- CAS
2889-61-4- Standard SMILES
Oc1ccc(O)c(S)c1- InChIKey
ZFQJFYYGUOXGRF-UHFFFAOYSA-N- Molecular formula
- C6H6O2S
- Average molar mass
- 142.18 g/mol
Names & identifiers
- Preferred name
- 2-Mercaptobenzene-1,4-diol
- IUPAC
- 2-sulfanylbenzene-1,4-diol
- English name
- 2,5-Dihydroxythiophenol
- Molecular formula
- C6H6O2S
- Molecular weight
- 142.18
Names & synonyms
2-Mercaptobenzene-1,4-diolRefChem:474033810-460-12889-61-42,5-Dihydroxythiophenol2-sulfanylbenzene-1,4-diol1,4-Benzenediol, 2-mercapto-MFCD001862192-sulfanyl-1,4-benzenediolMonothiohydrochinon2-Thiobenzene-1,4-diolSCHEMBL67838
Show more names
2,5-DIHYDROXYTHIOPHENO1-thio-2,5-dihydroxybenzene1,4-Benzenediol,2-Mercapto-Benzene-1,4-diol, 2-mercapto-2,5-dihydroxybenzenethiophenol4-hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one
SCHEMBL5505837SCHEMBL29644919ZFQJFYYGUOXGRF-UHFFFAOYSA-NAKOS007930291AC-10652SY064871CS-0268931EN300-1826547
Database identifiers
- CAS
2889-61-4- PubChem CID
- 2736167
- EC Number
- 810-460-1
- Nikkaji
- J451.606K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 333.2 · 333.2±32.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 6.69 · 6.69±0.48(Predicted)
- Appearance
- White to off-white Solid
- Sensitive
- Stench
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302+H312+H332
- Precautionary statements
- 260 · P260-P271-P280
- Hazard Codes
- Xi
- HS Code
- 2930909899 · 2930909899
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
Danger
H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335-H302+H312+H332
- Precautionary statements
- P260-P271-P280
Related reactions
5 records
Compound notes
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