Basic information
- CAS
63989-79-7- Standard SMILES
[Cl-].[NH3+]c1ccc2oc(=O)ccc2c1- InChIKey
OSIGAIXSSYAHEG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0243562
Overview
See other relationships...
Names & identifiers
- Preferred name
- Coumarin, 6-amino-, hydrochloride
- IUPAC
- (2-oxochromen-6-yl)azanium chloride
- English name
- 6-Aminocoumarin hydrochloride
- Molecular formula
- C9H8ClNO2
- Molecular weight
- 197.62
Names & synonyms
COUMARIN, 6-AMINO-, HYDROCHLORIDE(2-oxochromen-6-yl)azanium;chloride6-aminochromen-2-one, chlorideST504081026-AbpAids003411Aids-0034116-AminocoumarinHclCoumarin, 6-amino-6-Aminocoumarin HCI6-amino-coumarihydrochloride6-Coumarinamine hydrochloride
Show more names
6-Aminocoumarin hydrochloride6-Aminocoumarine Hydrochloride
Database identifiers
- CAS
63989-79-7- PubChem CID
- 46152
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- 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.
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.
Suppliers27 total
天津长江化学有限公司19129375004; 15321929114 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
泰州市众致生物科技有限公司
Related reactions
0 records
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Compound notes
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