Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate

METHYL 4,5-DIBROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE · 4,5-DIBROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER · 2-Thiophenecarboxylic acid, 4,5-dibromo-3-hydroxy-, methyl ester

https://huagongshe.com/de/chemical/2777613

Molekülstruktur von Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate

Identifikatoren & physikalische Daten

CAS No.	96232-71-2
Summenformel	C6H4Br2O3S
Durchschnittliche Molmasse	315,97 g/mol
Monoisotopische Masse	313,82479 g/mol
SMILES	COC(=O)c1sc(Br)c(Br)c1O
InChIKey	BRIPHJFDXWRHAV-UHFFFAOYSA-N
PubChem CID	2777613
EC No.	677-491-9
DTXSID	DTXSID40380590

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	74,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	190
Schmelzpunkt	125-128°C
Siedepunkt	291.3±35.0 °C(Predicted)
Dichte	2.140±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	6.97±0.20(Predicted)

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 4 reports by companies from 1 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.
R-Sätze (R)	36/37/38
Sicherheitshinweise (S)	26-36/37/39

CAS No.

96232-71-2

Summenformel

C6H4Br2O3S

Durchschnittliche Molmasse

315,97 g/mol

Monoisotopische Masse

313,82479 g/mol

SMILES

COC(=O)c1sc(Br)c(Br)c1O

InChIKey

BRIPHJFDXWRHAV-UHFFFAOYSA-N

PubChem CID

2777613

EC No.

677-491-9

DTXSID

DTXSID40380590

XLogP

3,7

Polarare Oberfläche (TPSA)

74,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

190

Schmelzpunkt

125-128°C

Siedepunkt

291.3±35.0 °C(Predicted)

Dichte

2.140±0.06 g/cm3(Predicted)

pKa (Säurekonstante)

6.97±0.20(Predicted)

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 4 reports by companies from 1 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.

R-Sätze (R)

36/37/38

Sicherheitshinweise (S)

26-36/37/39