5,5,5-Trifluoro-DL-norvaline

Norvaline, 5,5,5-trifluoro- · 5,5,5-Trifluoro-DL-norvaline · 5,5,5-Trifluoro-DL-norvaline96% · 5,5,5-Trifluoro-DL-norvaline 96% · 2-Amino-5,5,5-trifluoropentanoic acid, 2-Amino-5,5,5-trifluorovaleric acid

https://huagongshe.com/de/chemical/253377

Molekülstruktur von 5,5,5-Trifluoro-DL-norvaline

Identifikatoren & physikalische Daten

CAS No.	2365-80-2
Summenformel	C5H8F3NO2
Durchschnittliche Molmasse	171,12 g/mol
Monoisotopische Masse	171,05071298 g/mol
SMILES	NC(CCC(F)(F)F)C(=O)O
InChIKey	KTZZIDWVKLDWBF-UHFFFAOYSA-N
PubChem CID	253377
EC No.	807-066-7
DTXSID	DTXSID90950040

Chemische & physikalische Eigenschaften

XLogP	-1,5
Polarare Oberfläche (TPSA)	63,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	3
Schwere Atome	11
Formalladung	0
Komplexität	145
Schmelzpunkt	254-256 °C
Siedepunkt	206.7±40.0 °C(Predicted)
Dichte	1.356±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	2.17±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).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 (50%)Eye Irrit. 2 (50%)STOT SE 3 (50%)
Zollcode	2922498590

CAS No.

2365-80-2

Summenformel

C5H8F3NO2

Durchschnittliche Molmasse

171,12 g/mol

Monoisotopische Masse

171,05071298 g/mol

SMILES

NC(CCC(F)(F)F)C(=O)O

InChIKey

KTZZIDWVKLDWBF-UHFFFAOYSA-N

PubChem CID

253377

EC No.

807-066-7

DTXSID

DTXSID90950040

Chemische & physikalische Eigenschaften

XLogP

-1,5

Polarare Oberfläche (TPSA)

63,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

145

Schmelzpunkt

254-256 °C

Siedepunkt

206.7±40.0 °C(Predicted)

Dichte

1.356±0.06 g/cm3(Predicted)

Lagerbedingungen

2-8°C

pKa (Säurekonstante)

2.17±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).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 (50%)Eye Irrit. 2 (50%)STOT SE 3 (50%)

Zollcode

2922498590