Grundinformationen
- Standard-SMILES
O=Cc1ccccc1Cl- InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N- Summenformel
- C7H5ClO
- Durchschnittliche Molmasse
- 140,56 g/mol
- Monoisotopische Masse
- 140,0028925
Namen und Bezeichner
- Bevorzugter Name
- 2-Chlorobenzaldehyde
- IUPAC
- 2-chlorobenzaldehyde
- Lokaler Name
- 2-Chlorbenzaldehyd
- Englischer Name
- 2-Chlorobenzaldehyde
- Summenformel
- C7H5ClO
- Molmasse
- 140.57
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
35913-09-8、89-98-5- PubChem CID
- 6996
- DTXSID
DTXSID5024764- ChEMBL
CHEMBL1547989- UNII
- QHR24X1LXK
- EC Number
- 201-956-3
- Nikkaji
- J38.179I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 103
Physikochemische Eigenschaften
- Schmelzpunkt
- 9 · 9-11 °C (lit.)
- Siedepunkt
- 209 · 209-215 °C (lit.)
- Dichte
- 1.248 g/mL · 1.248 g/mL at 25 °C (lit.)
- Dampfdichte
- 4.84 · 4.84 (vs air)
- Dampfdruck
- 1.27 mm · 1.27 mm Hg ( 50 °C)
- Brechungsindex
- 20 · n20/D 1.566(lit.)
- Flammpunkt
- 190 °F · 190 °F
- storage temp.
- Store in RT
- Löslichkeit
- 1.8 g/l · 1.8g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- PH
- 2.9 · 2.9 (H2O)(saturated aqueous solution)
- Geruch (Odor)
- Penetrating odor
- Wasserlöslichkeit
- 0.1 · 0.1-0.5 g/100 mL at 24 ºC
- BRN
- 385877 · 385877
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, iron, strong reducing agents. Moisture and light-sensitive.
- InChI
- 1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
- InChIKey
- FPYUJUBAXZAQNL-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccccc1Cl
- LogP
- 2.44 at · 2.44 at 25℃
- CAS Datenbank
- 89 · 89-98-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzaldehyde, 2-chloro-(89-98-5)
- EPA chemische Informationen
- 2 · 2-Chlorobenzaldehyde (89-98-5)
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 8-9-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 3
- hs_code
- 29130000
- RTECS-Nr.
- CU5075000
- risk_code
- 34
- Toxizität
- LD50 orally in Rabbit: 2160 mg/kg
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Giftige Stoffe Daten
- 89-98-5(Hazardous Substances Data)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSkin Sens. 1
- Selbstentzündungstemperatur
- 746 °F
Chemie und Industrie
Anwendungen
Verwenden2-Chlorobenzaldehyde can be used to make alcohols, acids, and dyes; used in the rubber, tanning, and paper industries; used as an intermediate for optical brighteners, agricultural chemicals, and pharmaceuticals.It can also be used to prepare triphenyl methane and related dyes, organic intermediate.
Darstellung
synthetische2-Chlorobenzaldehyde is produced mainly by chlorination of 2-chlorotoluene to form 2-chlorobenzal chloride, which is then subjected to acid hydrolysis. Metal salts, such as iron(III) chloride, are used as catalysts. The hydrolysis can also be accomplished using formic acid without a catalyst.2-Chlorobenzaldehyde can also be produced by oxidation of 2-chlorobenzyl chloride with N-oxides of tertiary amines or with dilute nitric acid.https://pubchem.ncbi.nlm.nih.gov/compound/2-Chlorobenzaldehyde
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