4-Brombenzaldehyd

4-Bromobenzaldehyde

HCID 70741CAS 1122-91-4
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Grundinformationen

Standard-SMILES
O=Cc1ccc(Br)cc1
InChIKey
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Summenformel
C7H5BrO
Durchschnittliche Molmasse
185,02 g/mol
Monoisotopische Masse
183,95238

Namen und Bezeichner

Bevorzugter Name
4-Bromobenzaldehyde
IUPAC
4-bromobenzaldehyde
Lokaler Name
4-Brombenzaldehyd
Englischer Name
4-Bromobenzaldehyde
Summenformel
C7H5BrO
Molmasse
185.02

Namen und Synonyme

4-Bromobenzaldehydep-BromobenzaldehydeBenzaldehyde, 4-bromo-Benzaldehyde, p-bromo-4-formylbromobenzene1-bromo-4-formylbenzene4-BrombenzaldehydBENZALDEHYDE,4-BROMOEINECS 214-365-0NSC 216384-FORMYLPHENYL BROMIDEUNII-4L8VM24F65
Weitere Namen anzeigen
Bromobenzaldehyde4-BBA4-bromo-benzaldehyd4-BROMOBENZYLALDEHYDE4-Bromobenzaldehyde99%BRBA1DK4844-BromobenzaL
DTXSID50615344L8VM24F65NSC-216384-FORMYL-1-BROMOBENZENEpBromobenzaldehydeBenzaldehyde, pbromoBenzaldehyde, 4bromoRefChem:98176

Datenbank-Bezeichner

CAS
1122-91-4
PubChem CID
70741
DTXSID
DTXSID5061534
ChEMBL
CHEMBL3753357
UNII
4L8VM24F65
EC Number
214-365-0
Nikkaji
J30.727K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index1207.1；1216.5；1229

Physikochemische Eigenschaften

Schmelzpunkt
55 · 55-58 °C(lit.)
Siedepunkt
66 · 66-68°C 2mm
Dichte
1.85 g/cm3 · 1.85 g/cm3
Brechungsindex
1.5727 · 1.5727 (estimate)
Flammpunkt
228 °F · 228 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.3% (1 of 78) of reports.

Danger

H302 (73.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (48.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (94.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 78 reports by companies.；There are 16 notifications provided by 77 of 78 reports by companies with hazard statement code(s).；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 · 3 Einträge

Chemical: Benzaldehyde, 4-bromo-

Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19372

4-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (73.1%)；Skin Irrit. 2 (98.7%)；Eye Irrit. 2A (98.7%)；Resp. Sens. 1 (48.7%)；STOT SE 3 (94.9%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzaldehyde, 4-bromo-

Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19372

4-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
2811
hs_code
29130000
RTECS-Nr.
CU4810000
risk_code
22-36/37/38-43

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 4-bromo-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4-Bromobenzaldehyde is widely utilized as an intermediate for the preparation of agrochemicals, pharmaceuticals and other organic compounds. It is used as a precursor and reacts with sulfamethoxazole to prepare Schiffs base, 4-[(4-Bromo-benzylidene)-amino]-N-(5-methyl-isoxazol-3-yl)-benzene sulfonamide, which can be used for the photo stability of polyvinyl chloride (PVC). It plays an important role in palladium-catalyzed mono- and bis-arylation of 3,4-(ethylenedioxy)thiophenes. It is employed in a cross-coupling study with potassium vinyltrifluoroborate.

Darstellung

synthetische4-Bromobenzaldehyde is prepared by 2-Iodoxy-5-Methylbenzenesulfonic Acid-Catalyzed Selective Oxidation of 4-Bromobenzyl Alcohol.

Vor- und nachgelagerte Produkte

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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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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