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Home> Hot Product Listed D   > diethyl 3-(4-chlorobenzoyl)pyrrolo(2,1-a)phthalazine-1,2-dicarboxylate
111-14-8 structure

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

Iupac Name:heptanoic acid
CAS No.:111-14-8
Molecular Weight:130.18486
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=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChkey
MNWFXJYAOYHMED-UHFFFAOYSA-N
Canonical Smiles
CCCCCCC(=O)O
Properties
Melting Point
-10.5℃
Vapour
0.0578mmHg at 25°C
Refractive Index
1.4214-1.4234
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S28;S36/37/39;S45
HazardClass
8
Hazard Note
H314; H332; H335
PackingGroup
III
Transport
UN 3265
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
ARKEMA FRANCE 2015
OXEA GmbH OR 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:130.18486g/mol
  • Molecular Formula:C9H8CL2O3
  • XLogP3-AA:2.5
  • Exact Mass:130.09938
  • Monoisotopic Mass:130.09938
  • Complexity:79
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
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  • Fax:86-571-88938652
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
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  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-25-52113793
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  • Tel:86-27-50755982
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