3-Bromo-5-methylbenzaldehyde

HCID 16641083

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Grundinformationen

CAS: 188813-04-9
Standard-SMILES: Cc1cc(Br)cc(C=O)c1
InChIKey: DMSLPBFUZSQMQT-UHFFFAOYSA-N
Summenformel: C8H7BrO
Durchschnittliche Molmasse: 199,04 g/mol
Monoisotopische Masse: 197,96803

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-methylbenzaldehyde
IUPAC: 3-bromo-5-methylbenzaldehyde
Englischer Name: 3-Bromo-5-methylbenzaldehyde
Summenformel: C8H7BrO
Molmasse: 199.04

Namen und Synonyme

3-BROMO-5-METHYLBENZALDEHYDE188813-04-9DTXSID30586362RefChem:277608DTXCID80537127695-636-4Benzaldehyde, 3-bromo-5-methyl-MFCD098366803-bromo-5-methyl-benzaldehydeSCHEMBL1996468SCHEMBL30667909DMSLPBFUZSQMQT-UHFFFAOYSA-N

Weitere Namen anzeigen

CL8308AKOS005068130AB53369CS-W005073GS-36843-Bromo-5-methylbenzaldehyde, AldrichCPRSY111435DB-011154

Datenbank-Bezeichner

CAS: 188813-04-9
PubChem CID: 16641083
DTXSID: DTXSID30586362
EC Number: 695-636-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Siedepunkt: 255.6 · 255.6±20.0 °C(Predicted)
Dichte: 1.49 · 1.490±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: crystalline solid
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 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.