6-Chlorooxindole
- Iupac Name：6-chloro-1,3-dihydroindol-2-one
- CAS No.: 56341-37-8
- Molecular Weight：167.592
- Modify Date.: 2022-11-08 18:11
- Introduction: Off-white to tan crystalline powder
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1. Names and Identifiers
- 1.1 Name
- 6-Chlorooxindole
- 1.2 Synonyms
2H-Indol-2-one, 6-chloro-1,3-dihydro- 6-Chloro-1,3-dihvdro-indol-2-one 6-Chloro-1,3-dihydro-2H-indol- 6-Chloro-1,3-dihydro-2H-indol-2-one 6-Chloro-1,3-dihydroindol-2-one 6-Chloro-1,3-dihydroindole-2-one 6-Chloro-2-indolinone 6-Chloro-2-oxindole 6-Chloro-2-oxindole in stock Factory 6-Chloro-2-oxindole / 6-Chloro-1,3-dihydro-indole 2-one 6-Chloro-2-oxoindole 6-Chloro-2-oxoindoline
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- 1.3 CAS No.
- 56341-37-8
- 1.4 CID
- 736344
- 1.5 EINECS(EC#)
- 421-330-5; 611-380-8
- 1.6 Molecular Formula
- C8H6ClNO (isomer)
- 1.7 Inchi
- InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
- 1.8 InChIkey
- CENVPIZOTHULGJ-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1C2=C(C=C(C=C2)Cl)NC1=O
- 1.10 Isomers Smiles
- C1C2=C(C=C(C=C2)Cl)NC1=O
2. Properties
- 2.1 Density
- 1.362
- 2.1 Melting point
- 195-199℃
- 2.1 Boiling point
- 329°Cat760mmHg
- 2.1 Refractive index
- 1.601
- 2.1 Flash Point
- 329°Cat760mmHg
- 2.1 Precise Quality
- 167.01400
- 2.1 PSA
- 29.10000
- 2.1 logP
- 1.97260
- 2.1 Appearance
- Off-white to tan crystalline powder
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- Off-white to tan crystalline powder 6-Chlorooxindole Preparation Products And Raw materials Raw materials
- 2.4 Color/Form
- Pale-yellow to Yellow-brown Solid
- 2.5 pKa
- 13.39±0.20(Predicted)
3. Safety and Handling
- 3.1 Hazard Codes
- Xn
- 3.1 Risk Statements
- R22;R43
- 3.1 Safety Statements
- S37/39
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Skin sensitization, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H317 May cause an allergic skin reaction |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. 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. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
56341-37-8Total: 11 Synthesis Route
7. Computational chemical data
- Molecular Weight: 167.592g/mol
- Molecular Formula: C8H6ClNO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 167.0137915
- Monoisotopic Mass: 167.0137915
- Complexity: 183
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 29.1
- Heavy Atom Count: 11
- 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
- CACTVS Substructure Key Fingerprint: AAADcYByIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADAqBmCAwwILAAACIAiVSUACCAAAhBwAIiAEAZogIIDLBl5GEIAhglADIyAcciICOBAAAAAICAAAIAAAABAQAAAAAAAAAAA==
8. Question & Answer
-
Background and Overview 6-Chlorooxindole is an important intermediate in the synthesis of Quetiapine hydrochloride, the latest atypical broad-spectrum antipsychotic developed by Pfizer. It effectively..
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10. Realated Product Infomation
skype
2YRS
