Chlorobenzone
Also known as 1-Benzamido-4-chloroanthraquinone, Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-, 1-Chloro-4-benzoylaminoanthraquinone
Key facts
What buyers check first
- CAS number
- 81-45-8
- Formula
- C21H12ClNO3
- Molar mass
- 361.78 g/mol
- EC number
- 201-350-9
- HS code
- 292429
- Category
- Screening compounds
What is Chlorobenzone?
Plain description, key identifiers and synonyms
Chlorobenzone is a chemical substance with the molecular formula C21H12ClNO3 and a molar mass of 361.78 g/mol. Its CAS registry number is 81-45-8. The IUPAC name is N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
- CAS number
- 81-45-8 CAS number cross-checked
- EC number
- 201-350-9
- Molecular formula
- C21H12ClNO3
- InChIKey
- FNCVZYRPXOZNSM-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)
- SMILES (canonical and isomeric)
- C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O
Synonyms
- 1-Benzamido-4-chloroanthraquinone
- Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
- 1-Chloro-4-benzoylaminoanthraquinone
- 1Ba-4-Xa
- 1-Chloro-4-benzamidoanthraquinone
- 4-Benzamido-1-chloroanthraquinone
- 1-Benzoylamino-4-chloroanthraquinone
- Anthraquinone, 1-benzamido-4-chloro-
- N-(4-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
- Benzamide, N-(4-chloro-1-anthraquinonyl)-
- 1-Benzoylamino-2-chloroanthraquinone
- N-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide
- N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
- 1-(Benzoylamino)-2-chloroanthraquinone
- N-(4-Chloro-9,10-dioxo-9,10-dihydro-1-anthracenyl)benzamide
- 1-Benzamido-4-chloroanthranquinone
- 1-Benzoylamino-4-chloranthrachinon
- 1-Benzoylamino-4-chloro-anthraquinone
- N-(4-chloro-9,10-dioxoanthryl)benzamide
- N-(4-chloro-9,10-dioxo-1-anthryl)benzamide
- N-(4-Chloro-9,10-dioxo-9,10-dihydro-1-anthracenyl)benzamide #
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 361.78 g/molcalc.Computed value |
|---|---|
| Exact mass | 361.0506 Dacalc.Computed value |
| LogP (octanol/water) | 4.37calc.Computed value |
| Topological polar surface area | 63.24 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1
4 rings, 25 atoms, the N-(9,10-Dioxo-1-anthryl)benzamide ring system.
51 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H319Causes serious eye irritation.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P337 + P317If eye irritation persists: Get medical help.
- P391Collect spillage.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
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Chlorobenzone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
United States
- TSCA inventory (USA)Status: Inactive in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Chlorobenzone is traded under.
Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other
- China32.3%
- Switzerland * partner reported13.6%
- Norway * partner reported12.8%
- United States15.9%
- Ireland15.8%
- Germany11.9%
* Partner reported figures, a lower bound.
The HS code shown for Chlorobenzone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Chlorobenzone, based on the data on this page
What is Chlorobenzone?
What is the CAS number of Chlorobenzone?
What is the molecular formula and weight of Chlorobenzone?
What is Chlorobenzone used for?
Is Chlorobenzone hazardous?
What is the HS code of Chlorobenzone?
Where can I buy Chlorobenzone?
What is the price of Chlorobenzone?
Guides for buyers
Practical guides that help when you source, ship or handle Chlorobenzone
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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