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HCID 22240121Erstellt: 27. Oktober 2026

1-Bromo-3-(1,1-difluoroethyl)benzene

1-Bromo-3-(1,1-difluoro-ethyl)-benzene · Benzene, 1-bromo-3-(1,1-difluoroethyl)- · 1-Bromo-3-(1,1-difluoroethyl)benzene 95%

https://huagongshe.com/de/chemical/22240121

Molekülstruktur von 1-Bromo-3-(1,1-difluoroethyl)benzene

Identifikatoren & physikalische Daten

CAS No.	445303-70-8
Summenformel	C8H7BrF2
Durchschnittliche Molmasse	221,04 g/mol
Monoisotopische Masse	219,96992 g/mol
SMILES	CC(F)(F)c1cccc(Br)c1
InChIKey	NCJAJYPBNUFMQK-UHFFFAOYSA-N
PubChem CID	22240121
EC No.	674-936-9
DTXSID	DTXSID30623706

Chemische & physikalische Eigenschaften

XLogP	3,9
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	136
Siedepunkt	195.7±30.0 °C(Predicted)
Dichte	1.500 g/L at 25 °C
Brechungsindex	n20/D1.504
Flammpunkt	87℃
Lagerbedingungen	2-8°C
Aggregatzustand	liquid
Farbe	Clear, faint yellow
InChI	InChI=1S/C8H7BrF2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey	NCJAJYPBNUFMQK-UHFFFAOYSA-N
SMILES	C1(Br)=CC=CC(C(F)(F)C)=C1

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]H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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. 2A (100%)STOT SE 3 (100%)Aquatic Chronic 2 (97.5%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
Zollcode	2903998090
R-Sätze (R)	36/37/38-51/53
Gefahrensymbole	Xi,N
Sicherheitshinweise (S)	26-61
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

CAS No.

445303-70-8

Summenformel

C8H7BrF2

Durchschnittliche Molmasse

221,04 g/mol

Monoisotopische Masse

219,96992 g/mol

SMILES

CC(F)(F)c1cccc(Br)c1

InChIKey

NCJAJYPBNUFMQK-UHFFFAOYSA-N

PubChem CID

22240121

EC No.

674-936-9

DTXSID

DTXSID30623706

Chemische & physikalische Eigenschaften

XLogP

3,9

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

136

Siedepunkt

195.7±30.0 °C(Predicted)

Dichte

1.500 g/L at 25 °C

Brechungsindex

n20/D1.504

Flammpunkt

87℃

Lagerbedingungen

2-8°C

Aggregatzustand

liquid

Farbe

Clear, faint yellow

InChI

InChI=1S/C8H7BrF2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3

InChIKey

NCJAJYPBNUFMQK-UHFFFAOYSA-N

SMILES

C1(Br)=CC=CC(C(F)(F)C)=C1

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]H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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. 2A (100%)STOT SE 3 (100%)Aquatic Chronic 2 (97.5%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)

Zollcode

2903998090

R-Sätze (R)

36/37/38-51/53

Gefahrensymbole

Xi,N

Sicherheitshinweise (S)

26-61

Lagerklasse

10 - Combustible liquids

Gefahrenklasse

Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3