Basic information
- CAS
572-83-8- Standard SMILES
O=C1c2ccccc2C(=O)c2cc(Br)ccc21- InChIKey
VTSDGYDTWADUJQ-UHFFFAOYSA-N- Molecular formula
- C14H7BrO2
- Average molar mass
- 287.11 g/mol
- Monoisotopic mass
- 285.96294
Names & identifiers
- Preferred name
- 2-Bromoanthraquinone
- IUPAC
- 2-bromoanthracene-9,10-dione
- English name
- 2-Bromoanthraquinone
- Molecular formula
- C14H7BrO2
- Molecular weight
- 287.11
Names & synonyms
Show more names
Database identifiers
- CAS
572-83-8- PubChem CID
- 221013
- DTXSID
DTXSID30277889- EC Number
- 675-764-7
- Nikkaji
- J55.387E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Boiling point
- 443.4 · 443.4±34.0 °C(Predicted)
- Density
- 1.5425 · 1.5425 (rough estimate)
- refractive index
- 1.465 · 1.4650 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- almost transparency in hot Toluene
- form
- powder to crystal
- color
- Light yellow to Brown to Dark green
- InChI
- InChI=1S/C14H7BrO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
- InChIKey
- VTSDGYDTWADUJQ-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Br
- CAS DataBase Reference
- 572 · 572-83-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
- RTECS
- 5950000 · CB5950000
- HS Code
- 29146990 · 29146990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- rtecs
- CB5950000
- hs_code
- 29146990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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