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HCID 95444Erstellt: 27. Oktober 2026

2-Bromindan-1-ol

2-Bromo-1-indano · 2-BROMO-1-INDANOL · 2-BROMOINDAN-1-OL · INDENE BROMOHYDRIN · 2-Bromo-1-indanole · Indenebromohydrine · 2- bromo -1- indenol · 2-Bromo-1-indanol,99%

https://huagongshe.com/de/chemical/95444

Identifikatoren & physikalische Daten

CAS No.	5400-80-6
Summenformel	C9H9BrO
Durchschnittliche Molmasse	213,07 g/mol
Monoisotopische Masse	211,98368 g/mol
SMILES	OC1c2ccccc2CC1Br
InChIKey	RTESDSDXFLYAKZ-UHFFFAOYSA-N
PubChem CID	95444
EC No.	226-442-6
DTXSID	DTXSID701316516
Lokaler Name	2-Bromindan-1-ol

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	148
Schmelzpunkt	129-132 °C(lit.)
Siedepunkt	247.5°C (rough estimate)
Dichte	1.3841 (rough estimate)
Brechungsindex	1.5720 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	13.19±0.40(Predicted)
Farbe	White to Light yellow to Light orange
BRN	2046877
InChI	InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2
InChIKey	RTESDSDXFLYAKZ-UHFFFAOYSA-N
SMILES	C1(O)C2=C(C=CC=C2)CC1Br
CAS Datenbank	5400-80-6(CAS DataBase Reference)

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 (83.3%): 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 6 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 (83.3%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29062900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	24/25

CAS No.

5400-80-6

Summenformel

C9H9BrO

Durchschnittliche Molmasse

213,07 g/mol

Monoisotopische Masse

211,98368 g/mol

SMILES

OC1c2ccccc2CC1Br

InChIKey

RTESDSDXFLYAKZ-UHFFFAOYSA-N

PubChem CID

95444

EC No.

226-442-6

DTXSID

DTXSID701316516

Lokaler Name

2-Bromindan-1-ol

Chemische & physikalische Eigenschaften

XLogP

1,9

Polarare Oberfläche (TPSA)

20,2

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

148

Schmelzpunkt

129-132 °C(lit.)

Siedepunkt

247.5°C (rough estimate)

Dichte

1.3841 (rough estimate)

Brechungsindex

1.5720 (estimate)

Lagerbedingungen

Sealed in dry,Room Temperature

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

13.19±0.40(Predicted)

Farbe

White to Light yellow to Light orange

BRN

2046877

InChI

InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2

InChIKey

RTESDSDXFLYAKZ-UHFFFAOYSA-N

SMILES

C1(O)C2=C(C=CC=C2)CC1Br

CAS Datenbank

5400-80-6(CAS DataBase Reference)

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 (83.3%): 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 6 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 (83.3%)

Wassergefährdungsklasse (WGK)

Zollcode

29062900

R-Sätze (R)

36/37/38

Gefahrensymbole

hazard_note

Irritant

Sicherheitshinweise (S)

24/25