1-Chloro-2-(chloromethyl)-3-fluorobenzene (HCID 108675)

Namen und Bezeichner

Bevorzugter Name: 1-Chloro-2-(chloromethyl)-3-fluorobenzene
IUPAC: 1-chloro-2-(chloromethyl)-3-fluorobenzene
Lokaler Name: alpha, 2-Dichlor-6-fluortoluol
Englischer Name: 2-Chloro-6-fluorobenzyl chloride
Summenformel: C7H5Cl2F
Molmasse: 179.02

Namen und Synonyme

2-Chloro-6-fluorobenzyl chloride1-Chloro-2-(chloromethyl)-3-fluorobenzeneBenzene, 1-chloro-2-(chloromethyl)-3-fluoro-UNII-A581KL6ZPNDTXSID80388551-Chloro-2-chloromethyl-3-fluorobenzenealpha,2-Dichloro-6-fluorotolueneEINECS 259-487-5A581KL6ZPNDTXCID6018855MJGOLNNLNQQIHR-UHFFFAOYSA-EC 259-487-5

Weitere Namen anzeigen

AKOS BBS-00004004LABOTEST-BB LT02085021à,2-dichloro-6-fluorotoluene2,α-dichloro-6-fluorotoluene2-Chloro-6-Fluorochlorobenzyl2-Fluoro-6-chlorobenzyl chloride2-Chloro-6-fluorobenzylchloride97%2-Chloro-6-fluorobenzyl chloride 97%

.ALPHA.,2-DICHLORO-6-FLUOROTOLUENERefChem:75343InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2MJGOLNNLNQQIHR-UHFFFAOYSA-N55117-15-21-Chloro-2-chloromethyl-3-fluoro-benzeneMFCD000008962-chloro-6-fluorobenzylchloride

Datenbank-Bezeichner

CAS: 55117-15-2
PubChem CID: 108675
DTXSID: DTXSID8038855
ChEMBL: CHEMBL3186001
UNII: A581KL6ZPN
EC Number: 259-487-5
Nikkaji: J208.254C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Experimentelle und physikochemische Eigenschaften

Physical DescriptionOther Solid

Physikochemische Eigenschaften

Schmelzpunkt: 7 °C · 7 °C
Siedepunkt: 208 · 208-210 °C
Dichte: 1.401 g/mL · 1.401 g/mL at 25 °C (lit.)
Dampfdruck: 83 Pa · 83Pa at 40℃
Brechungsindex: 20 · n20/D 1.537(lit.)
Flammpunkt: 200 °F · 200 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Wichte: 1.401 · 1.401
Farbe: Colorless to Almost colorless
BRN: 386840 · 386840
InChI: 1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: MJGOLNNLNQQIHR-UHFFFAOYSA-N
SMILES: Fc1cccc(Cl)c1CCl
LogP: 3.64 · 3.64
CAS Datenbank: 55117 · 55117-15-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Chloro-6-fluorobenzyl chloride(55117-15-2)
EPA chemische Informationen: 1 · Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- (55117-15-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 03-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6762

Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-51/53
hazard_code: C,Xi,N
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-61
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Chloro-6-fluorobenzyl chloride was used:as alkylating reagent during the synthesis of 3-benzylsulfanyl derivatives of 1,2,4-triazole and 4-methyl-1,2,4-triazolein the preparataion of 2-chloro-6-fluorobenzylamine, required for the synthesis of 9-substituted adeninein the preparation of aprinocid via reaction with adenine

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

4-[(2-CHLORO-6-FLUOROBENZYL)OXY]-3-METHOXYBENZALDEHYDE 4-(2-CHLORO-6-FLUOROBENZYLOXY)BENZALDEHYDE 3H-Purin-6-amine, 3-[(2-chloro-6-fluorophenyl)methyl]-1-(2-CHLORO-6-FLUOROBENZYL)PIPERAZINE 2-Chlor-6-fluorbenzylamin Arprinocid DIETHYL 2-CHLORO-6-FLUOROPHENYL MALONATE

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