2-Bromanilin

2-Bromoaniline

HCID 11992CAS 615-36-1

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Grundinformationen

Standard-SMILES: Nc1ccccc1Br
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

Bevorzugter Name: 2-Bromoaniline
IUPAC: 2-bromoaniline
Lokaler Name: 2-Bromanilin
Englischer Name: 2-Bromoaniline
Summenformel: C6H6BrN
Molmasse: 172.02

Namen und Synonyme

2-BROMOANILINE615-36-1o-BromoanilineBenzenamine, 2-bromo-Aniline, o-bromo-o-AminobromobenzeneVTP98DS78ENSC-7086DTXSID5060645RefChem:85845DTXCID0043054210-421-3

Weitere Namen anzeigen

2-Bromoanilines1-Amino-2-bromobenzene2-BromoaniLBROMOANILINE(2-)AKOS BBS-000036502-bromo-benzenamin

2-bromobenzenamine2-bromo-aniline2-bromophenylamineMFCD00007632aniline, 2-bromo-2-bromioanilineo-bromo-aniline2-bromaniline

Datenbank-Bezeichner

CAS: 615-36-1
PubChem CID: 11992
DTXSID: DTXSID5060645
UNII: VTP98DS78E
EC Number: 210-421-3
Nikkaji: J94.957D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.04 [mmHg]

Physical DescriptionBrown solid; mp = 27-32 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 24 · 24-28 °C (lit.)
Siedepunkt: 229 °C · 229 °C (lit.)
Dichte: 1.52 g/mL · 1.52 g/mL at 25 °C (lit.)
Brechungsindex: 1.617 · 1.617-1.619
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 0.949 g/l · 0.949g/l
Aggregatzustand: Liquid After Melting
pka: 2.53 · 2.53(at 25℃)
Farbe: Clear yellow to red-brown
Wasserlöslichkeit: Insoluble in water.
BRN: 742062 · 742062
InChI: 1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
SMILES: Nc1ccccc1Br
CAS Datenbank: 615 · 615-36-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenamine, 2-bromo-(615-36-1)
EPA chemische Informationen: 2 · Benzenamine, 2-bromo- (615-36-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P319, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenamine, 2-bromo-

Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23361

2-Bromoaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion and inhalation; Toxic by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (96.2%)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

F: 8-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29214210
risk_code: 23/24/25-33-52/53-36/37/38-20/21/22-24/25
hazard_code: T,Xn
hazard_note: Toxic
safety_code: 36/37-45-61-36/37/39-26
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 2-bromo-: ACTIVE

Anwendungen

Verwenden2-Bromoaniline is used as a corrosion inhibitor, emulsifying and antiseptic agents. It is used in the rubber industry, e.g. diphenylguanidines, phenylenediamines mercaptobenzothiazoles, aniline ketones and etc.