3-(Hydroxymethyl)pyrocatechol
Basic information
- CAS
14235-77-9- Standard SMILES
OCc1cccc(O)c1O- InChIKey
UBFALTGHGHULNL-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Names & identifiers
- Preferred name
- 3-(Hydroxymethyl)pyrocatechol
- IUPAC
- 3-(hydroxymethyl)benzene-1,2-diol
- English name
- 3-(hydroxymethyl)pyrocatechol
- Molecular formula
- C7H8O3
- Molecular weight
- 140.13662
Names & synonyms
3-(Hydroxymethyl)pyrocatechol14235-77-9EINECS 238-106-6DTXSID101620223-(Hydroxymethyl)-1,2-benzenediolRefChem:495314DTXCID0084513238-106-63-(hydroxymethyl)benzene-1,2-diolhydroxymethyl catecholBX6CZ9M8H9SCHEMBL66634
Show more names
SCHEMBL6461608CHEMBL3787213UBFALTGHGHULNL-UHFFFAOYSA-NPAA23577AKOS0105719491,2-Benzenediol, 3-(hydroxymethyl)-CS-0378153NS00024623
Database identifiers
- CAS
14235-77-9- PubChem CID
- 84277
- DTXSID
DTXSID10162022- ChEMBL
CHEMBL3787213- UNII
- BX6CZ9M8H9
- EC Number
- 238-106-6
- Nikkaji
- J216.920G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (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)
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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