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HCID 23005355Erstellt: 27. Oktober 2026

5-Bromobenzo(b)thiophene-2-boronic acid

(5-BroMobenzo[b]thiophen-2-yl)boronic acid · AKOS BRN-0640 · 2-Borono-5-bromobenzo[b]thiophene · 5-Bromobenzo[b]thiophene-2-boronic acid · (5-BROMO-1-BENZOTHIEN-2-YL)BORONIC ACID · (5-bromo-1-benzothiophen-2-yl)boronic acid · Boronic acid, B-(5-bromobenzo[b]thien-2-yl)- · 5-BROMOBENZO[B]THIOPHENE-2-BORONIC ACID ISO 9001：2015 REACH

https://huagongshe.com/de/chemical/23005355

Molekülstruktur von 5-Bromobenzo(b)thiophene-2-boronic acid

Identifikatoren & physikalische Daten

CAS No.	884010-25-7
Summenformel	C8H6BBrO2S
Durchschnittliche Molmasse	256,92 g/mol
Monoisotopische Masse	255,93649 g/mol
SMILES	OB(O)c1cc2cc(Br)ccc2s1
InChIKey	RUQKSUMPFAJLNQ-UHFFFAOYSA-N
PubChem CID	23005355
ChEMBL	CHEMBL397522
EC No.	801-181-6
DTXSID	DTXSID20629631

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	68,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	193
Siedepunkt	442.6±48.0 °C(Predicted)
Dichte	1.77±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	6.61±0.30(Predicted)
Aggregatzustand	solid
Farbe	white

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.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	Acute Tox. 4 (66.7%)Acute Tox. 4 (33.3%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%)STOT SE 3 (66.7%)
Zollcode	2934999090
R-Sätze (R)	22
Gefahrensymbole	Xi,Xn
hazard_note	Irritant

5-Bromobenzo(b)thiophene-2-boronic acid

CAS No.

884010-25-7

Summenformel

C8H6BBrO2S

Durchschnittliche Molmasse

256,92 g/mol

Monoisotopische Masse

255,93649 g/mol

SMILES

OB(O)c1cc2cc(Br)ccc2s1

InChIKey

RUQKSUMPFAJLNQ-UHFFFAOYSA-N

PubChem CID

23005355

ChEMBL

CHEMBL397522

EC No.

801-181-6

DTXSID

DTXSID20629631

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)

68,7

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

193

Siedepunkt

442.6±48.0 °C(Predicted)

Dichte

1.77±0.1 g/cm3(Predicted)

Lagerbedingungen

2-8°C

pKa (Säurekonstante)

6.61±0.30(Predicted)

Aggregatzustand

solid

Farbe

white

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.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

Acute Tox. 4 (66.7%)Acute Tox. 4 (33.3%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%)STOT SE 3 (66.7%)

Zollcode

2934999090

R-Sätze (R)

Gefahrensymbole

Xi,Xn

hazard_note

Irritant