1,3-Dibromobenzene

HCID 7927CAS 108-36-1
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Grundinformationen

Standard-SMILES
Brc1cccc(Br)c1
InChIKey
JSRLURSZEMLAFO-UHFFFAOYSA-N
Summenformel
C6H4Br2
Durchschnittliche Molmasse
235,9 g/mol
Monoisotopische Masse
233,86798

Namen und Bezeichner

Bevorzugter Name
1,3-Dibromobenzene
IUPAC
1,3-dibromobenzene
Lokaler Name
1,3-Dibrombenzol
Englischer Name
1,3-Dibromobenzene
Summenformel
C6H4Br2
Molmasse
235.9

Namen und Synonyme

1,3-DIBROMOBENZENE108-36-1m-DibromobenzeneBenzene, 1,3-dibromo-Benzene, m-dibromo-74EF6KH8TCDTXSID7051555CHEBI:37151meta-dibromobenzeneRefChem:72602DTXCID1030107203-574-2
Weitere Namen anzeigen
1.3-DibroMobenm-dibromo-benzen1,3-dibromo-benzenBenzene,1,3-dibromo-Inter-dibromobenzene1,3-Dibromobenzene97%
1,3-dibromo-benzeneMFCD00000078EINECS 203-574-2UNII-74EF6KH8TC1,3-DIBROMO BENZENE3,5-dibromobenzene1,3-dibrormobenzene1, 3-dibromobenzene

Datenbank-Bezeichner

CAS
108-36-1
PubChem CID
7927
DTXSID
DTXSID7051555
ChEBI
CHEBI:37151
UNII
74EF6KH8TC
EC Number
203-574-2
Nikkaji
J2.420A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.26 [mmHg]
Physical DescriptionColorless liquid; [MSDSonline]
Kovats Retention Index · 2 Einträge

1162.2；1190；1197；1176.5；1190；1197；1197

1756

Physikochemische Eigenschaften

Schmelzpunkt
-7 °C · -7 °C (lit.)
Siedepunkt
218 · 218-219 °C (lit.)
Dichte
1.952 g/mL · 1.952 g/mL at 25 °C (lit.)
Dampfdichte
8.16 · 8.16 (vs air)
Dampfdruck
5 mm · 5 mm Hg ( 66 °C)
Brechungsindex
20 · n20/D 1.608(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 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 · 2 Einträge

Chemical: Benzene, 1,3-dibromo-

1,3-Dibromobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] See Bromobenzene. See m-Dichlorobenzene.
DOT Hazard Classification · 3 Einträge

1,3-Dibromobenzene

Marine pollutant

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.8%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
RAIS Toxicity Values · 4 Einträge

0.0004

SCREEN Current

0.004

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 4 Einträge

1,3-Dibromobenzene

PDF Document

Inadequate information to assess carcinogenic potential

2014

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

3.10e+01

4.70e+02

5.30e+00

6.0E+01(G)

5.10e-03

4.00e-04

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

9.40e+01

1.40e+03

1.60e+01

6.0E+01 (G)

4.00e-04

Volatile

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Benzene, 1,3-dibromo-

1,3-Dibromobenzene: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2711
hs_code
29036990
RTECS-Nr.
CZ1790000
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,3-dibromo-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden1,3-Dibromobenzene is used in Suzuki coupling reaction for the preparation of [n]metacyclophanes. It is used to prepare 5-(3-bromo-phenyl)-2,4-di-tert-butoxy-pyrimidine using Pd(0) (PPh3)4 as a reagent. Further, it undergoes solid-supported potassium fluoride-aluminum oxide palladium-catalyzed polyarylation reaction with phenyl boronic acid to get conjugated polyaryls.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京穹峰科技有限公司13552142508 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A dibromobenzene carrying bromo groups at positions 1 and 3.

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