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Home> Hot Product Listed D   > diethyl 3-(4-chlorobenzoyl)pyrrolo(2,1-a)phthalazine-1,2-dicarboxylate
85-42-7 structure

diethyl 3-(4-chlorobenzoyl)pyrrolo(2,1-a)phthalazine-1,2-dicarboxylate

Iupac Name:3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CAS No.:85-42-7
Molecular Weight:154.16300
Molecular Formula:C9H8CL2O3 (isomer)
Names and Identifiers
Synonyms

AK267551 AKOS024435473 diethyl 3-(4-chlorobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylate MCULE-4250435065 ZINC4542515

Inchi
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2
InChkey
MUTGBJKUEZFXGO-UHFFFAOYSA-N
Canonical Smiles
C1CCC2C(C1)C(=O)OC2=O
Properties
Melting Point
32-34°C(lit.)
Refractive Index
1.536
HS Code
2917350000
Safety and Handling
Risk Statements
R41; R42/43
Safety Statements
S23-S24-S26-S37/39
Transport
3335
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Envigo Consulting Limited 2015
POLYNT S.p.A. 2016
REACh ChemAdvice GmbH 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H317 May cause an allergic skin reaction

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:154.16300g/mol
  • Molecular Formula:C9H8CL2O3
  • Compound Is Canonicalized:True
  • Exact Mass:154.063
  • Monoisotopic Mass:154.063
  • Complexity:187
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgAAAAAGgAAAAAADQCAgAAACAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGLyKCOgAAAAAAAAAAAAAAAACAAAAAAAAAA AA==
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