2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione

C23H15ClO3

CAS3691-35-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
3691-35-8
EC Number
223-003-0
UN Number
2761
Index Number
606-014-00-9
PubChem CID
19402

Physical-chemical properties

Molecular Formula
C23H15ClO3
Molar Mass
374.80 g/mol
IUPAC Name
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione

Chemical Identifiers

InChI
InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
InChI Key
UDHXJZHVNHGCEC-UHFFFAOYSA-N

Overview

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione (CAS 3691-35-8) is an organic compound with complex aromatic structure featuring chlorophenyl and phenylacetyl substituents on an indene-1,3-dione backbone. This highly specialized chemical compound represents a sophisticated example of polycyclic aromatic chemistry, characterized by its distinctive molecular structure combining multiple aromatic rings with ketone functionalities. With a molecular formula of C23H15ClO3 and molecular weight of 374.8 g/mol, this substance exhibits unique chemical properties derived from its indene-1,3-dione core structure modified with both chlorophenyl and phenylacetyl groups. The presence of the chlorine substituent significantly influences its reactivity profile and biological activity compared to non-halogenated analogs. The compound presents significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 1), and specific target organ toxicity (STOT RE 1). Its classification requires strict handling protocols under ADR Class 6.1 regulations, with appropriate GHS pictograms (GHS06, GHS08, GHS09) indicating its dangerous nature. The aquatic toxicity classifications (Aquatic Acute 1, Aquatic Chronic 1) emphasize the need for careful environmental protection measures during use and disposal. Industrial applications typically focus on specialized chemical synthesis processes, pharmaceutical intermediate production, and advanced materials research where its unique structural properties provide specific reactivity patterns. Unlike simpler aromatic compounds such as N-methylaniline, this complex molecule offers distinct advantages in targeted synthetic pathways requiring specific substitution patterns and electronic properties. OYSI maintains availability of this specialized compound for qualified industrial customers requiring high-purity chemical intermediates for research and manufacturing applications.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 1; Acute Tox. 1; Acute Tox. 1; STOT RE 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Fatal

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Fatal

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2761
ADR Class6.1
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameChlorphacinon (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is a synthetic organic compound with the molecular formula C23H15ClO3 and CAS number 3691-35-8. This chemical features an indene-1,3-dione core structure substituted with a complex aromatic acetyl group containing both chlorophenyl and phenyl moieties. With a molecular weight of 374.8 g/mol, it is classified as an extremely hazardous substance requiring specialized handling protocols due to its high toxicity profile.

What are the physicochemical properties of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is a solid organic compound at room temperature with a molecular weight of 374.8 g/mol. The presence of the chlorine atom and multiple aromatic rings suggests limited water solubility but good solubility in organic solvents. The compound's extensive conjugated system likely imparts a colored appearance, though specific physical properties such as melting point, boiling point, and exact solubility data require experimental determination for precise characterization.

What is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione used for?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is primarily used as a research chemical and intermediate in pharmaceutical synthesis. The indene-1,3-dione scaffold is valuable in medicinal chemistry for developing bioactive compounds. Given its high toxicity classification, this substance is restricted to specialized applications in controlled laboratory environments, pharmaceutical research, and potentially as a synthetic intermediate where its unique structural features are required for specific chemical transformations.

How to handle 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione safely?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione requires extreme safety precautions due to its Acute Tox. 1 classification. Full personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection is mandatory. Work must be conducted in a well-ventilated fume hood or controlled atmosphere. Avoid all contact with skin, eyes, and respiratory system. Only trained personnel should handle this substance, and emergency procedures must be readily available given its extremely hazardous nature.

How to store 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione properly?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione must be stored in a secure, temperature-controlled environment away from incompatible materials. Keep containers tightly sealed in a cool, dry place with adequate ventilation. Due to its extreme toxicity and environmental hazard classification, storage requires specialized containment systems with secondary containment measures. Access should be restricted to authorized personnel only, and inventory must be carefully tracked according to local regulations for highly toxic substances.

What to do in case of contact with 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?

Immediate action is critical due to the substance's Acute Tox. 1 classification. For skin contact, remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, rinse thoroughly with water. In all cases of exposure, seek immediate medical attention and provide the safety data sheet to medical personnel. Do not induce vomiting if ingested, and contact poison control centers immediately.

How to dispose of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione appropriately?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione requires specialized hazardous waste disposal due to its extreme toxicity and environmental hazard classifications. Disposal must be conducted through licensed hazardous waste disposal companies following local and EU regulations. The substance cannot be discharged to sewers or the environment due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Incineration at authorized high-temperature facilities may be required, with proper emission controls to prevent environmental contamination.

How to transport 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is classified as ADR Class 6.1 (Toxic substances), Packing Group I, indicating maximum danger level for toxic materials. Transportation requires specialized packaging meeting UN specifications, proper labeling with GHS pictogrammes (GHS06, GHS08, GHS09), and documentation including transport emergency cards. Only certified carriers experienced in handling extremely toxic materials should transport this substance, following strict ADR regulations for the most hazardous category of toxic substances.

Is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione subject to specific regulations?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification standards. Its multiple hazard classifications (Repr. 1B, Acute Tox. 1, STOT RE 1, Aquatic hazards) trigger strict regulatory controls. While not currently listed as an SVHC, its extreme toxicity profile means it may face restrictions on use, require authorization for certain applications, and must comply with occupational exposure limits and environmental protection measures.

Where to buy 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione in Europe?

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is available through OYSI, a specialized European distributor of technical chemicals. As an extremely hazardous substance with Acute Tox. 1 classification, purchase requires proper documentation including end-use declarations and qualified personnel certifications. OYSI provides comprehensive regulatory support and ensures compliance with EU chemical regulations. Due to the substance's hazardous nature, availability may be restricted to qualified research institutions and licensed pharmaceutical companies with appropriate handling facilities.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.