(2,6-Dihydroxyphenyl)azanium;chloride
Basic information
- CAS
634-60-6- Standard SMILES
[Cl-].[NH3+]c1c(O)cccc1O- InChIKey
QOVNXPCVVNCPQC-UHFFFAOYSA-N- Molecular formula
- C6H8ClNO2
- Average molar mass
- 161.58 g/mol
- Monoisotopic mass
- 161.0243562
Overview
See also: 1,3-Benzenediol, 2-amino-, hydrochloride (1:1) (preferred).
Names & identifiers
- Preferred name
- (2,6-Dihydroxyphenyl)azanium;chloride
- IUPAC
- (2,6-dihydroxyphenyl)azanium chloride
- English name
- 2-Aminoresorcinol hydrochloride
- Molecular formula
- C6H8ClNO2
- Molecular weight
- 161.59
Names & synonyms
(2,6-dihydroxyphenyl)azanium;chloride2-AMINORESORCINOL HCL2-AMINO-1,3-BENZENEDIOL HCL2-amino-resorcinohydrochloride2-Aminoresorcinal hydrochloride2-AMINORESORCINOL HYDROCHLORIDE3-benzenediol,2-amino-hydrochloride2-Aminoresorcinol hydrochloride,97%2-aminobenzene-1,3-diol hydrochloride2-AMINO-1,3-BENZENEDIOL HYDROCHLORIDE2-aminoresorcinol (intermediates of rifalazil)
Database identifiers
- CAS
634-60-6- PubChem CID
- 69450
Properties
Computed structural properties
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C6H7NO2.ClH/c7-6-4(8)2-1-3-5(6)9;/h1-3,8-9H,7H2;1H
- InChIKey
- QOVNXPCVVNCPQC-UHFFFAOYSA-N
- SMILES
- Cl.Nc1c(O)cccc1O
- CAS DataBase Reference
- 634 · 634-60-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Aminoresorcinol hydrochloride (634-60-6)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Toxicity
- LDLo orl-rat: 500 mg/kg JPETAB 90,260,47
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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