6-Amino-2H-1-benzopyran-2-one--hydrogen chloride (1/1)
Basic information
- CAS
63989-79-7- Standard SMILES
Cl.Nc1ccc2oc(=O)ccc2c1- InChIKey
OSIGAIXSSYAHEG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0243562
Names & identifiers
- Preferred name
- 6-Amino-2H-1-benzopyran-2-one--hydrogen chloride (1/1)
- IUPAC
- 6-aminochromen-2-one;hydrochloride
- English name
- 6-Aminocoumarin hydrochloride
- Molecular formula
- C9H8ClNO2
- Molecular weight
- 197.62
Names & synonyms
DTXSID509817146-Amino-2H-1-benzopyran-2-one--hydrogen chloride (1/1)RefChem:1073784DTXCID5014089836-Aminocoumarin hydrochloride63989-79-76-Amino-2H-chromen-2-one hydrochlorideMFCD000826716-aminochromen-2-one;hydrochloride6-AMINOCOUMARIN HCl6-Amino-2H-chromen-2-one HCl6-Coumarinamine hydrochloride
Show more names
6-AbpAids003411Aids-003411Coumarin, 6-amino-6-Aminocoumarin HCI
6-Aminocoumarine Hydrochloride6-AminocoumarinHcl(2-oxochromen-6-yl)azanium chloride6-amino-coumarihydrochlorideorb2940629SCHEMBL65194106-Aminocoumarin (hydrochloride)6-Aminocoumarinhydrochloride,97%
Database identifiers
- CAS
63989-79-7- PubChem CID
- 356789
- DTXSID
DTXSID50981714- EC Number
- 677-826-9
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 260 °C · >260°C (dec.)
- form
- solid
- Water Solubility
- Insoluble in water.
- BRN
- 3698955 · 3698955
- InChI
- 1S/C9H7NO2.ClH/c10-7-2-3-8-6(5-7)1-4-9(11)12-8;/h1-5H,10H2;1H
- InChIKey
- OSIGAIXSSYAHEG-UHFFFAOYSA-N
- SMILES
- Cl.Nc1ccc2OC(=O)C=Cc2c1
- CAS DataBase Reference
- 63989 · 63989-79-7(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312a-P330-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-20/21/22-36
- Safety Statements
- 22 · 22-36/37-36-26
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]
P264, P270, P301+P317, P330, 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.
Safety data
- wgk
- WGK 3
- rtecs
- GN4930000
- risk_code
- 22-36/37/38-20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-36/37-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Applications
Uses6-Aminocoumarin hydrochloride is used as a pharmaceutical intermediate.
Suppliers
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Related reactions
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Compound notes
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