7-Bromochromone
Basic information
- CAS
168759-60-2- Standard SMILES
O=c1ccoc2cc(Br)ccc12- InChIKey
WWAOCYNUAWVKGQ-UHFFFAOYSA-N- Molecular formula
- C9H5BrO2
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.94729
Names & identifiers
- Preferred name
- 7-Bromochromone
- IUPAC
- 7-bromochromen-4-one
- English name
- 7-bromo-4H-chromen-4-one
- Molecular formula
- C9H5BrO2
- Molecular weight
- 225.04
Names & synonyms
7-BromochromoneRefChem:545929663-714-77-BROMO-4H-CHROMEN-4-ONE168759-60-27-bromochromen-4-oneMFCD121963504H-1-Benzopyran-4-one, 7-bromo-7-Bromo-4H-1-benzopyran-4-oneSCHEMBL2065762DTXSID40595586AKOS016005068
Show more names
1,2-Ethanediamine,N1-(5-methylpropyl)-
CS-W022531DS-4023SY110679F1902-0099AM803312SCHEMBL208305SCHEMBL30771801DB-341959
Database identifiers
- CAS
168759-60-2- PubChem CID
- 18686752
- DTXSID
DTXSID40595586- EC Number
- 663-714-7
- Nikkaji
- J2.994.313C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 154 · 154-159°C
- Boiling point
- 306 · 306.0±42.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H5BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
- InChIKey
- WWAOCYNUAWVKGQ-UHFFFAOYSA-N
- SMILES
- Brc1ccc2C(=O)C=COc2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 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
- wgk
- 3
- 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
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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