5-Aminobenzene-1,3-diol
Basic information
- CAS
20734-67-2- Standard SMILES
Nc1cc(O)cc(O)c1- InChIKey
PDCMTKJRBAZZHL-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767846
Names & identifiers
- Preferred name
- 5-Aminobenzene-1,3-diol
- IUPAC
- 5-aminobenzene-1,3-diol
- English name
- 5-Aminoresorcinol
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
5-aminobenzene-1,3-diol3,5-dihydroxyanilineRefChem:532418881-788-05-Aminoresorcinol20734-67-21,3-Benzenediol, 5-amino-5-amino-benzene-1,3-diolMFCD19159800Phloramine5-amino-1,3-benzenediol3,5-dihydroxyphenylamine
Show more names
SCHEMBL63371SCHEMBL10971465DTXSID10328489RMA-454PDCMTKJRBAZZHL-UHFFFAOYSA-NAKOS006222549AS-30036DB-086414
Database identifiers
- CAS
20734-67-2- PubChem CID
- 410751
- DTXSID
DTXSID10328489- EC Number
- 881-788-0
- Nikkaji
- J20.031J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- Boiling point
- 341.9 · 341.9±12.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341-H332-H335-H319-H312-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-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]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 3 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H341-H332-H335-H319-H312-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
Uses5-Aminobenzene-1,3-diol is a useful research chemical used as a reactant in the synthesis of resveratrol using a direct decarbonylative Heck approach from resorcylic acid.
Related reactions
29 records
Compound notes
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