3-(Bromomethyl)benzaldehyde

HCID 7127825CAS 82072-23-9

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Grundinformationen

Standard-SMILES: O=Cc1cccc(CBr)c1
InChIKey: OEPGAYXSRGROSQ-UHFFFAOYSA-N
Summenformel: C8H7BrO
Durchschnittliche Molmasse: 199,04 g/mol
Monoisotopische Masse: 197,96803

Namen und Bezeichner

Bevorzugter Name: 3-(Bromomethyl)benzaldehyde
IUPAC: 3-(bromomethyl)benzaldehyde
Englischer Name: 3-(Bromomethyl)benzaldehyde
Summenformel: C8H7BrO
Molmasse: 199.04

Namen und Synonyme

3-(bromomethyl)benzaldehyde82072-23-9DTXSID80427817RefChem:275198DTXCID60378651690-682-13-bromomethylbenzaldehyde3-Bromomethyl-benzaldehydeMFCD06797497Benzaldehyde, 3-(bromomethyl)-alpha-Bromo-m-tolualdehyde3-(bromomethyl)-benzaldehyde

Weitere Namen anzeigen

3-Formylbenzyl bromide3-(BroMoMthyl)Benzaldehyde3-(Bromomethyl)benzaldehyde97%3-(Bromomethyl)benzaldehyde 97%

SCHEMBL190072BBL103SCHEMBL7423782SCHEMBL29607567CL8311SBB052151AKOS005257291CS-W004961

Datenbank-Bezeichner

CAS: 82072-23-9
PubChem CID: 7127825
DTXSID: DTXSID80427817
EC Number: 690-682-1
Nikkaji: J2.200.585E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 49 °C · 49 °C
Siedepunkt: 269.7 · 269.7±23.0 °C(Predicted)
Dichte: 1.524 · 1.524±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: Pale yellow
InChI: InChI=1S/C8H7BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2
InChIKey: OEPGAYXSRGROSQ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(CBr)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.