Grundinformationen
- Standard-SMILES
ClCc1ccc(Cl)c(Cl)c1- InChIKey
YZIFVWOCPGPNHB-UHFFFAOYSA-N- Summenformel
- C7H5Cl3
- Durchschnittliche Molmasse
- 195,5 g/mol
- Monoisotopische Masse
- 193,945683
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Dichlorobenzyl chloride
- IUPAC
- 1,2-dichloro-4-(chloromethyl)benzene
- Lokaler Name
- α,3,4-Trichlortoluol
- Englischer Name
- 1,2-Dichloro-4-(chloromethyl)benzene
- Summenformel
- C7H5Cl3
- Molmasse
- 195.47
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
102-47-6- PubChem CID
- 7609
- DTXSID
DTXSID9059252- UNII
- 451PB8SMIE
- EC Number
- 203-033-0
- Nikkaji
- J91.328F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 105
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -3 °C · -3 °C
- Siedepunkt
- 122 · 122-124 °C14 mm Hg(lit.)
- Dichte
- 1.411 g/mL · 1.411 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.577(lit.)
- Flammpunkt
- 155 °C · 155 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform, Methanol (Slightly)
- Aggregatzustand
- Liquid
- Wichte
- 1.409 · 1.409
- Farbe
- Clear colorless to very slightly yellow
- BRN
- 386644 · 386644
- InChI
- InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
- InChIKey
- YZIFVWOCPGPNHB-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=C(CCl)C=C1Cl
- CAS Datenbank
- 102 · 102-47-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,2-dichloro-4-(chloromethyl)-(102-47-6)
- EPA chemische Informationen
- 1 · Benzene, 1,2-dichloro-4-(chloromethyl)- (102-47-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 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.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-
Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatorische Informationen
Regulatory Information
Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-
Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- F
- 19
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29036990
- risk_code
- 34-36/37
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole
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