(alphaS)-4-Bromo-alpha-methylbenzenemethanamine

(S)-1-(4-bromophenyl)ethan-1-amine · (S)-1-(4-BROMOPHENYL)ETHANAMINE · (S)-1-(4-BROMOPHENYL)ETHYLAMINE · (1S)-1-(4-Bromophenyl)ethanamine · (S)-(-)-1-(4-BROMOPHENYL)ETHYLAMINE · S(-)-1-(4-Bromophenyl)ethylami · (S)-1-(4-Bromopheny)ethylamine · (S)-1-(p-broMophenyl)ethylaMine

https://huagongshe.com/de/chemical/852999

Molekülstruktur von (alphaS)-4-Bromo-alpha-methylbenzenemethanamine

Identifikatoren & physikalische Daten

CAS No.	27298-97-1
Summenformel	C8H10BrN
Durchschnittliche Molmasse	200,08 g/mol
Monoisotopische Masse	198,99966142 g/mol
SMILES	C[C@H](N)c1ccc(Br)cc1
InChIKey	SOZMSEPDYJGBEK-LURJTMIESA-N
PubChem CID	852999
EC No.	608-076-2
DTXSID	DTXSID501280072

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	97,4
Schmelzpunkt	-25°C
Siedepunkt	63-72 °C (0.2 mmHg)
Dichte	1.390 g/mL at 20 °C(lit.)
Brechungsindex	n20/D 1.566
Flammpunkt	>110°C
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand	clear liquid
pKa (Säurekonstante)	8.82±0.10(Predicted)
Farbe	Colorless to Almost colorless
BRN	5729988
InChI	1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey	SOZMSEPDYJGBEK-LURJTMIESA-N
SMILES	C[C@H](N)c1ccc(Br)cc1
CAS Datenbank	27298-97-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (82%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (82%)
F	10-23
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2735 8/PG 3
Zollcode	29214990
R-Sätze (R)	34-51/53-43-20/22
Gefahrensymbole	C,N
Sicherheitshinweise (S)	26-28-36/37/39-45-61
Gefahrenklasse	8Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1
Verpackungsgruppe	II
Lagerklasse	8A - Combustible corrosive hazardous materials

Anwendungen & Verwendung

Verwenden

(S)-(-)-1-(4-Bromophenyl)ethylamine is utilized as an important raw material in organic synthesis. It also serves as an intermediate in organic synthesis and pharmaceuticals and agrochemicals.