Benzenemethanamine, 3-bromo-

HCID 457587CAS 10269-01-9

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Grundinformationen

Standard-SMILES: NCc1cccc(Br)c1
InChIKey: SUYJXERPRICYRX-UHFFFAOYSA-N
Summenformel: C7H8BrN
Durchschnittliche Molmasse: 186,05 g/mol
Monoisotopische Masse: 184,98401

Namen und Bezeichner

Bevorzugter Name: Benzenemethanamine, 3-bromo-
IUPAC: (3-bromophenyl)methanamine
Englischer Name: 3-Bromobenzylamine
Summenformel: C7H8BrN
Molmasse: 186.05

Namen und Synonyme

3-Bromobenzylamine10269-01-9Benzenemethanamine, 3-bromo-DTXSID70145457RefChem:563268DTXCID3067948679-024-4(3-bromophenyl)methanamine1-(3-BROMOPHENYL)METHANAMINEMFCD010261193-bromobenzyl amineM-BROMOBENZYLAMINE

Weitere Namen anzeigen

TIMTEC-BB SBB005796RARECHEM AL BW 00183-Bromobenzylamine >3-Bromobenzylamine 98%3-Bromobenzylamine,99%3-Bromobenzylamine, 97%3-Bromobenzenemethanamine

EN300-601574JH3-Bromo-benzylaminebenzylamine, 3-bromo-3-bromophenylmethylamine3-aminomethylbromobenzene(3-bromophenyl)methyl-amineSCHEMBL42450

Datenbank-Bezeichner

CAS: 10269-01-9
PubChem CID: 457587
DTXSID: DTXSID70145457
ChEMBL: CHEMBL139288
EC Number: 679-024-4
Nikkaji: J358.834C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Siedepunkt: 245 °C · 245°C(lit.)
Dichte: 1.48 g/ml · 1.48g/ml
Brechungsindex: 1.584 · 1.584-1.586
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Liquid
pka: 8.77 · 8.77±0.10(Predicted)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey: SUYJXERPRICYRX-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC(Br)=C1
CAS Datenbank: 10269 · 10269-01-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, 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.