Basic information
- CAS
87893-58-1- Standard SMILES
O=c1ccc2cc(Cl)c(O)cc2o1- InChIKey
CFVSMUGHMLAHRB-UHFFFAOYSA-N- Molecular formula
- C9H5ClO3
- Average molar mass
- 196.58 g/mol
- Monoisotopic mass
- 195.9927217
Names & identifiers
- Preferred name
- 6-Chloro-7-hydroxy coumarin
- IUPAC
- 6-chloro-7-hydroxychromen-2-one
- English name
- 6-CHLORO-7-HYDROXYCOUMARIN
- Molecular formula
- C9H5ClO3
- Molecular weight
- 196.59
Names & synonyms
87893-58-16-chloro-7-hydroxy coumarinDTXSID30419828RefChem:541821DTXCID603706756-chloro-7-hydroxycoumarin6-chloro-7-hydroxychromen-2-one6-chloro-7-hydroxy-2H-chromen-2-one2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-SCHEMBL531543CFVSMUGHMLAHRB-UHFFFAOYSA-N6-chloro-7-hydroxy-chromen-2-one
Show more names
AKOS006279747FC303966-Chloro-7-hydroxycoumarin, AldrichCPRST0923706-Chloro-7-hydroxy-2H-1-benzopyran-2-oneCS-0457734
Database identifiers
- CAS
87893-58-1- PubChem CID
- 5393166
- DTXSID
DTXSID30419828- EC Number
- 109-246-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- form
- solid
- InChI
- 1S/C9H5ClO3/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,11H
- InChIKey
- CFVSMUGHMLAHRB-UHFFFAOYSA-N
- SMILES
- Oc1cc2OC(=O)C=Cc2cc1Cl
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Chemistry & industry
Suppliers1 total
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
4 records
Compound notes
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