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HCID 2736373Erstellt: 27. Oktober 2026

Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

BUTTPARK 33\06-02 · ETHYL 5-(BROMOACETYL)ISOXAZOLE-3-CARBOXYLATE · ETHYL 5-(2-BROMOACETYL)ISOXAZOLE-3-CARBOXYLATE · ethyl 5-(2-broMoacetyl)-1,2-oxazole-3-carboxylate · 5-(2-bromo-1-oxoethyl)-4-ethyl-3-isoxazolecarboxylate · 3-Isoxazolecarboxylic acid, 5-(2-bromoacetyl)-, ethyl ester · Ethyl 5-(bromoacetyl)-1,2-oxazole-3-carboxylate, 5-(Bromoacetyl)-3-(ethoxycarbonyl)isoxazole

https://huagongshe.com/de/chemical/2736373

Molekülstruktur von Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

Identifikatoren & physikalische Daten

CAS No.	104776-74-1
Summenformel	C8H8BrNO4
Durchschnittliche Molmasse	262,06 g/mol
Monoisotopische Masse	260,96366984 g/mol
SMILES	CCOC(=O)c1cc(C(=O)CBr)on1
InChIKey	GUYZRQOTADGHII-UHFFFAOYSA-N
PubChem CID	2736373
EC No.	672-856-9
DTXSID	DTXSID10371314

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	69,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	5
Schwere Atome	14
Formalladung	0
Komplexität	233
Schmelzpunkt	71 °C
Siedepunkt	374.2±32.0 °C(Predicted)
Dichte	1.592±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	crystals
pKa (Säurekonstante)	-7.72±0.50(Predicted)
Farbe	White
CAS Datenbank	104776-74-1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
Zollcode	2934999090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT

Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

CAS No.

104776-74-1

Summenformel

C8H8BrNO4

Durchschnittliche Molmasse

262,06 g/mol

Monoisotopische Masse

260,96366984 g/mol

SMILES

CCOC(=O)c1cc(C(=O)CBr)on1

InChIKey

GUYZRQOTADGHII-UHFFFAOYSA-N

PubChem CID

2736373

EC No.

672-856-9

DTXSID

DTXSID10371314

Chemische & physikalische Eigenschaften

XLogP

1,7

Polarare Oberfläche (TPSA)

69,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

233

Schmelzpunkt

71 °C

Siedepunkt

374.2±32.0 °C(Predicted)

Dichte

1.592±0.06 g/cm3(Predicted)

Lagerbedingungen

2-8°C

Aggregatzustand

crystals

pKa (Säurekonstante)

-7.72±0.50(Predicted)

Farbe

White

CAS Datenbank

104776-74-1

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (33.3%)

Zollcode

2934999090

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36/37/39

Gefahrenklasse

IRRITANT