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HCID 322405Erstellt: 27. Oktober 2026

5-Bromo-2,3-dimethoxybenzaldehyde

5-Bromo-2-thoxy-3-mthoxybnzaldhyd · Benzaldehyde, 5-bromo-2,3-dimethoxy- · 5-Bromo-2 3-dimethoxybenzaldehyde 97 · 5-BroMo-2,3-diMethoxybenzaldehyde 97%

https://huagongshe.com/de/chemical/322405

Molekülstruktur von 5-Bromo-2,3-dimethoxybenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	71295-21-1
Summenformel	C9H9BrO3
Durchschnittliche Molmasse	245,07 g/mol
Monoisotopische Masse	243,97351 g/mol
SMILES	COc1cc(Br)cc(C=O)c1OC
InChIKey	RVMWFOFQRYTRHZ-UHFFFAOYSA-N
PubChem CID	322405
EC No.	627-368-0
DTXSID	DTXSID60314014

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	174
Schmelzpunkt	81-84 °C (lit.)
Siedepunkt	312.7±37.0 °C(Predicted)
Dichte	1.482±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, stored under nitrogen
InChI	1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKey	RVMWFOFQRYTRHZ-UHFFFAOYSA-N
SMILES	COc1cc(Br)cc(C=O)c1OC

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 exposureRespiratory 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 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

CAS No.

71295-21-1

Summenformel

C9H9BrO3

Durchschnittliche Molmasse

245,07 g/mol

Monoisotopische Masse

243,97351 g/mol

SMILES

COc1cc(Br)cc(C=O)c1OC

InChIKey

RVMWFOFQRYTRHZ-UHFFFAOYSA-N

PubChem CID

322405

EC No.

627-368-0

DTXSID

DTXSID60314014

Chemische & physikalische Eigenschaften

XLogP

Polarare Oberfläche (TPSA)

35,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

174

Schmelzpunkt

81-84 °C (lit.)

Siedepunkt

312.7±37.0 °C(Predicted)

Dichte

1.482±0.06 g/cm3(Predicted)

Lagerbedingungen

2-8°C, stored under nitrogen

InChI

1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3

InChIKey

RVMWFOFQRYTRHZ-UHFFFAOYSA-N

SMILES

COc1cc(Br)cc(C=O)c1OC

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (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 exposureRespiratory 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 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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

Wassergefährdungsklasse (WGK)

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Eye Irrit. 2Skin Irrit. 2STOT SE 3