Grundinformationen
- Standard-SMILES
O=C(Cl)c1ccc(Cl)cc1- InChIKey
RKIDDEGICSMIJA-UHFFFAOYSA-N- Summenformel
- C7H4Cl2O
- Durchschnittliche Molmasse
- 175,01 g/mol
- Monoisotopische Masse
- 173,9639201
Namen und Bezeichner
- Bevorzugter Name
- 4-Chlorobenzoyl chloride
- IUPAC
- 4-chlorobenzoyl chloride
- Lokaler Name
- 4-Chlorbenzoylchlorid
- Englischer Name
- 4-Chlorobenzoyl chloride
- Summenformel
- C7H4Cl2O
- Molmasse
- 175.01
Namen und Synonyme
4-CHLOROBENZOYL CHLORIDE122-01-0Benzoyl chloride, 4-chloro-p-Chlorobenzoyl chloridepara-Chlorobenzoyl chloride4-Chlorobenzoic acid chlorideDTXSID40516198UQ7JCV2YPEINECS 204-515-3Benzoyl chloride, p-chloro-CCRIS 8935AI3-14889
Weitere Namen anzeigen
PCOCSKL7554-Chlorobenzoyl4-Chlorobenzoyl chloChloride to chlorine4-ChlorbenzoylchloridIndapamide Impurity ELABOTEST-BB LTBB0005694-chloro-benzoylchlorid
DTXCID9030171CHEBI:60716EC 204-515-3pChlorobenzoylchloridpChlorobenzoyl chlorideRefChem:98557Benzoyl chloride, 4chloro204-515-3
Datenbank-Bezeichner
- CAS
122-01-0- PubChem CID
- 8501
- DTXSID
DTXSID4051619- ChEBI
CHEBI:60716- UNII
- 8UQ7JCV2YP
- EC Number
- 204-515-3
- Nikkaji
- J95.365B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 128
Experimentelle und physikochemische Eigenschaften
Vapor Pressure0.05 [mmHg]
Physical DescriptionClear colorless liquid; mp = 12-14 deg C; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 11 · 11-14 °C (lit.)
- Siedepunkt
- 102 · 102-104 °C/11 mmHg (lit.)
- Dichte
- 1.365 g/mL · 1.365 g/mL at 20 °C (lit.)
- Dampfdruck
- 5.8 · 5.8-73.9Pa at 20-50℃
- Brechungsindex
- 20 · n20/D 1.578(lit.)
- Flammpunkt
- 221 °F · 221 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- soluble in Chloroform, DMSO
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to faintly colored
- Explosionsgrenze
- 1.5 · 1.5-15%(V)
- Wasserlöslichkeit
- Reacts with water. Reacts with alcohol.
- BRN
- 471606 · 471606
- Stabilität
- Stable. Moisture sensitive. Incompatible with strong oxidizing agents.
- InChI
- 1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
- InChIKey
- RKIDDEGICSMIJA-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1ccc(Cl)cc1
- LogP
- 2.52 at · 2.52 at 25℃
- CAS Datenbank
- 122 · 122-01-0(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · 4-Chlorobenzoic acid chloride(122-01-0)
- EPA chemische Informationen
- 4 · Benzoyl chloride, 4-chloro- (122-01-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (60.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (33.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Not Classified
Gefahrenhinweise
Regulatory Information
Chemical: Benzoyl chloride, 4-chloro-
Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5601
4-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes irritant dermatitis and allergic anaphylaxis (multiple organ involvement) in 12-week intermittent intravenous studies of guinea pigs; [RTECS] A skin and eye irritant; May cause skin sensitization; [ECHA REACH Registrations] Hydrolyzed by water producing fumes and aqueous hydrogen chloride; Causes burns and lachrymation; Inhalation may cause corrosive injuries to respiratory tract; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (99.4%)；Eye Dam. 1 (60.5%)；STOT SE 3 (33.8%)
Toxikologische Informationen
Adverse Effects
Dermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Regulatorische Informationen
Regulatory Information
Chemical: Benzoyl chloride, 4-chloro-
Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5601
4-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 10-19-21
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163900
- RTECS-Nr.
- DM6635510
- risk_code
- 34-36/37
- hazard_code
- C
- safety_code
- 26-36/37/39-45-28A
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationBenzoyl chloride, 4-chloro-: ACTIVE
Anwendungen
Verwenden4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer. 4-Chlorobenzoyl chloride may be used in the following studies Acylation of benzene using different solid acid catalysts such as dodecatungstophosphoric acid (DTPA), DTPA/K-10 clay, K-10, Amberlite, Amberlyst-15, Indion-130, Filtrol-24 clay and sulfated zirconia, Preparation of 1-(4-chlorobenzoyl)-2, 7-dimethoxynaphthalene, Preparation of 4-chlorobenzoyl CoA, via reaction with CoA in KHCO3 buffer, Preparation of 1-aryloxyacetyl-4-(4-chlorobenzoyl)-semicarbazides.
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Ergänzende Hinweise
DefinitionChEBI: An acyl chloride consisting of benzoyl chloride having a chloro substituent in the para-position.
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