3-Bromo-2-methylbenzaldehyde

HCID 10442743

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Grundinformationen

CAS: 83647-40-9
Standard-SMILES: Cc1c(Br)cccc1C=O
InChIKey: HHVUFPUWPWOWOA-UHFFFAOYSA-N
Summenformel: C8H7BrO
Durchschnittliche Molmasse: 199,04 g/mol
Monoisotopische Masse: 197,96803

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-2-methylbenzaldehyde
IUPAC: 3-bromo-2-methylbenzaldehyde
Englischer Name: 3-Bromo-2-methylbenzaldehyde
Summenformel: C8H7BrO
Molmasse: 199.04

Namen und Synonyme

3-BROMO-2-METHYLBENZALDEHYDE83647-40-9DTXSID80439955RefChem:277345DTXCID60390777852-126-83-bromo-2-methyl-benzaldehydeMFCD11847533Benzaldehyde, 3-bromo-2-methyl-3- BROMO-2-METHYL- BENZALDEHYDESCHEMBL146118SCHEMBL2048825

Weitere Namen anzeigen

3-broMo-2-tolualdehyde3- BROMO-2-METHYL- BENZA3-Bromo-2-methylbenzaldehyd3-Bromo-2-methylbenzaldehyde97%3-Bromo-2-methylbenzaldehyde 97%3-Bromo-o-tolualdehyde, 2-Bromo-6-formyltoluene3- BROMO-2-METHYL- BENZALDEHYDE ISO 9001：2015 REACH

SCHEMBL29621617HHVUFPUWPWOWOA-UHFFFAOYSA-NIDA64740AKOS014313014PB43520DA-17709DS-17148SY258266

Datenbank-Bezeichner

CAS: 83647-40-9
PubChem CID: 10442743
DTXSID: DTXSID80439955
EC Number: 852-126-8

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: 255.3 · 255.3±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: fused solid
Farbe: Clear, orange/amber liquid

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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.