4-(Bromomethyl)-1,2-dichlorobenzene

HCID 639726CAS 18880-04-1

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Grundinformationen

Standard-SMILES: Clc1ccc(CBr)cc1Cl
InChIKey: XLWSBDFQAJXCQX-UHFFFAOYSA-N
Summenformel: C7H5BrCl2
Durchschnittliche Molmasse: 239,92 g/mol
Monoisotopische Masse: 237,89516762

Namen und Bezeichner

Bevorzugter Name: 4-(Bromomethyl)-1,2-dichlorobenzene
IUPAC: 4-(bromomethyl)-1,2-dichlorobenzene
Englischer Name: 3,4-Dichlorobenzyl bromide
Summenformel: C7H5BrCl2
Molmasse: 239.92

Namen und Synonyme

3,4-Dichlorobenzyl bromide18880-04-14-(bromomethyl)-1,2-dichlorobenzenebenzene, 4-(bromomethyl)-1,2-dichloro-DTXSID50348666RefChem:515299DTXCID80299738625-144-7InChI=1/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H3,4-dichlorobenzylbromideMFCD000413631,2-dichloro-4-(bromomethyl)benzene

Weitere Namen anzeigen

TIMTEC-BB SBB0057633,4-Dichlorobenzyl bAdenosine Impurity 41à-bromo-3,4-dichlorotolueneα-Bromo-3,4-dichlorotoluene3,4-Dichlorobenzylbromide97%3,4-DichlorobenzylBromide>3,4-Dichlorobenzyl bromide 97%

3,4 dichlorobenzyl bromideSCHEMBL101283,4-Dichloro-benzyl bromideSCHEMBL11123079SCHEMBL29413271XLWSBDFQAJXCQX-UHFFFAOYSA-N4-bromomethyl-1,2-dichlorobenzene3,4-Dichlorobenzyl bromide, 97%

Datenbank-Bezeichner

CAS: 18880-04-1
PubChem CID: 639726
DTXSID: DTXSID50348666
EC Number: 625-144-7
Nikkaji: J307.721G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Schmelzpunkt: 19 °C · 19 °C
Siedepunkt: 115 · 115-120 °C (1 mmHg)
Dichte: 1.65 · 1.650
Brechungsindex: 1.605 · 1.605-1.607
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to brown
Wasserlöslichkeit: Insoluble in water.
BRN: 742579 · 742579
InChI: 1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey: XLWSBDFQAJXCQX-UHFFFAOYSA-N
SMILES: Clc1ccc(CBr)cc1Cl
CAS Datenbank: 18880 · 18880-04-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (85.1%)

Sicherheitsdaten

wgk: 3
ridadr: 1760
hs_code: 29039990
risk_code: 34-22
hazard_code: C,T,N
hazard_note: Toxic/Corrosive/Lachrymatory
safety_code: 45-36/37/39-25-61-26
hazard_class: 8
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 4Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden3,4-Dichlorobenzyl bromide is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.