Chlorobenzone
Basic information
- CAS
81-45-8- Standard SMILES
O=C(Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O)c1ccccc1- InChIKey
FNCVZYRPXOZNSM-UHFFFAOYSA-N- Molecular formula
- C21H12ClNO3
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.0505709
Names & identifiers
- Preferred name
- Chlorobenzone
- IUPAC
- N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
- English name
- N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
- Molecular formula
- C21H12ClNO3
- Molecular weight
- 361.78
Names & synonyms
Chlorobenzone81-45-81-Benzamido-4-chloroanthraquinoneBenzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-1-Chloro-4-benzoylaminoanthraquinone1Ba-4-Xa1-Chloro-4-benzamidoanthraquinone4-Benzamido-1-chloroanthraquinone1-Benzoylamino-4-chloroanthraquinoneAnthraquinone, 1-benzamido-4-chloro-1BA-4-XA [Russian]N-(4-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
Show more names
N-(4-chloro-9,10-diketo-1-anthryl)benzamideN-(4-chloro-9,10-dioxoanthracen-1-yl)benzamideN-(4-chloro-9,10-dioxo-anthracen-1-yl)benzamideN-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamideBenzamide,N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
NSC 39954BENZAMIDE, N-(4-CHLORO-1-ANTHRAQUINONYL)-1-Benzoylamino-2-chloroanthraquinoneEINECS 201-350-9BRN 2819875AI3-61825DTXSID1058846RefChem:575786
Database identifiers
- CAS
81-45-8- PubChem CID
- 6679
- DTXSID
DTXSID1058846- EC Number
- 201-350-9
- Nikkaji
- J54.486H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Melting point
- 237.5 · 237.5-238.5 °C
- Boiling point
- 506.2 · 506.2±50.0 °C(Predicted)
- Density
- 1.212 · 1.2120 (rough estimate)
- refractive index
- 1.715 · 1.7150 (estimate)
- pka
- 11 · 11+-.0.20(Predicted)
- EPA Substance Registry System
- Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)- (81-45-8)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
- TSCA
- TSCA listed
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in rat: 2gm/kg
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
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesEye Irrit. 2 (97.4%)
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 intraperitoneal in rat: 2gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H410
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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