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HCID 69249Erstellt: 4. November 2026

α,α-Dibromtoluol

Benzal bromide · -Dibromotoluene · Benzal dibromide · benzylene bromide · α,α-dibromotoluene · A,A-DIBROMOTOLUENE · Benzylidene bromide · Dibromophenylmethane

https://huagongshe.com/de/chemical/69249

Identifikatoren & physikalische Daten

CAS No.	618-31-5
Summenformel	C7H6Br2
Durchschnittliche Molmasse	249,93 g/mol
Monoisotopische Masse	247,88363 g/mol
SMILES	BrC(Br)c1ccccc1
InChIKey	VCJZTATVUDMNLU-UHFFFAOYSA-N
PubChem CID	69249
EC No.	210-543-7
DTXSID	DTXSID90977378
Lokaler Name	α,α-Dibromtoluol

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	75
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
Schmelzpunkt	111℃
Siedepunkt	156 °C23 mm Hg(lit.)
Dichte	1.51 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.614(lit.)
Flammpunkt	>230 °F
Aggregatzustand	liquid
BRN	1906098
InChI	1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey	VCJZTATVUDMNLU-UHFFFAOYSA-N
SMILES	BrC(Br)c1ccccc1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)
F	19
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2927 6.1/PG 2
R-Sätze (R)	23/24/25-34
Gefahrensymbole	T
Sicherheitshinweise (S)	23-26-36/37/39-45
Gefahrenklasse	6.1(a)Acute Tox. 3 OralSkin Corr. 1B
Verpackungsgruppe	II
Lagerklasse	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

CAS No.

618-31-5

Summenformel

C7H6Br2

Durchschnittliche Molmasse

249,93 g/mol

Monoisotopische Masse

247,88363 g/mol

SMILES

BrC(Br)c1ccccc1

InChIKey

VCJZTATVUDMNLU-UHFFFAOYSA-N

PubChem CID

69249

EC No.

210-543-7

DTXSID

DTXSID90977378

Lokaler Name

α,α-Dibromtoluol

Chemische & physikalische Eigenschaften

XLogP

3,4

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

SpringerMaterials Properties

Nuclear quadrupole resonance spectroscopy

Schmelzpunkt

111℃

Siedepunkt

156 °C23 mm Hg(lit.)

Dichte

1.51 g/mL at 25 °C(lit.)

Brechungsindex

n20/D 1.614(lit.)

Flammpunkt

>230 °F

Aggregatzustand

liquid

BRN

1906098

InChI

1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H

InChIKey

VCJZTATVUDMNLU-UHFFFAOYSA-N

SMILES

BrC(Br)c1ccccc1

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (100%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 2927 6.1/PG 2

R-Sätze (R)

23/24/25-34

Gefahrensymbole

Sicherheitshinweise (S)

23-26-36/37/39-45

Gefahrenklasse

6.1(a)Acute Tox. 3 OralSkin Corr. 1B

Verpackungsgruppe

Lagerklasse

6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials