1-(Brommethyl)-2-chlorbenzol

1-(BROMOMETHYL)-2-CHLOROBENZENE · 2-ChlorbenzylbroMide · 2-Chlorobenzyl bromi · -Bromo-2-chlorotoluene · benzylbromide,2-chloro · 2-CHLOROBENZYL BROMIDE · O-CHLOROBENZYL BROMIDE · α-Bromo-o-chlorotoluene

https://huagongshe.com/de/chemical/11905

Molekülstruktur von 1-(Brommethyl)-2-chlorbenzol

Identifikatoren & physikalische Daten

CAS No.	611-17-6
Summenformel	C7H6BrCl
Durchschnittliche Molmasse	205,48 g/mol
Monoisotopische Masse	203,93414 g/mol
SMILES	Clc1ccccc1CBr
InChIKey	PURSZYWBIQIANP-UHFFFAOYSA-N
PubChem CID	11905
EC No.	210-257-2
DTXSID	DTXSID40209974
Lokaler Name	1-(Brommethyl)-2-chlorbenzol

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	85
Dichte	1.583 g/mL at 25 °C1.583 g/mL at 25 °C (lit.)
Color/Form	Amber color, clear liquid
Löslichkeit	Soluble in chloroformbenzene
Flammpunkt	109 °C (228 °F) - closed cup108 °C
Siedepunkt	BP: 120 °C at 10 mm Hg103-104 °C/10 mmHg (lit.)
Brechungsindex	Index of refraction = 1.59201.591-1.593
Physical Description	Colorless liquid[MSDSonline]
Kovats Retention Index	1237
Other Experimental Properties	Conditions to Avoid: light, moisture, excess heat, strong oxidants, exposure to moist air or waterIncompatibilities with Other Materials: Moisture, alcohols, amines, bases, steel.Decomposes in hot water
Schmelzpunkt	83-84 °C
Lagerbedingungen	2-8°C, sealed storage, away from moisture
Aggregatzustand	Liquid
Wichte	1.583
Farbe	Clear yellow
BRN	386264
Henry-Konstante	1.9×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	InChI=1S/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey	PURSZYWBIQIANP-UHFFFAOYSA-N
SMILES	C1(CBr)=CC=CC=C1Cl
CAS Datenbank	611-17-6(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1-(bromomethyl)-2-chloro-(611-17-6)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 48 reports by companies from 6 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.
Regulatorische Informationen	2-Chlorobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	No evidence of mutagenicityA strong irritant[HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline]The major hazards encountered in the use and handling of alpha-bromo-o-chlorotoluene stem from its toxicologic properties. This substance is considered to be hazardous to health with the ability to act as a strong irritant. Adequate ventilation should be used and prolonged breathing of vapor should be avoided. To enter a comtaminated area (eg, to handle a broken container of alpha-bromo-o-chlorotoluene), wear full face mask self-contained breathing apparatus, boots, and protective gloves. Any of this substance which contacts the body must be washed away with copious amounts of water. This substance is normally stable, even under fire exposure conditionsrequiring moderate heating before ignition will occur. Normal fire fighting procedures may be employedincluding the use of "alcohol" foam, CO2, or dry chemical extinguishing agents. Water also may be used in flooding quantities as a fog or spray to extinguish the fire or cool containers (solid streams may be ineffective). The latter should be done from as far a distance as possible. Runoff from fire control water should be diked to prevent it from entering water sources or sewers. Alpha-bromo-o-chlorotoluene should be stored away from sparks, flames, and other sources of ignition. The location also should be cool and dry because this substance decomposes in hot water. Before transporting alpha-bromo-o-chlorotoluene, the regulatory requirements of the DOT must be consulted. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance.