4-Bromobenzene-1,2-diamine

HCID 323593CAS 1575-37-7

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Grundinformationen

Standard-SMILES: Nc1ccc(Br)cc1N
InChIKey: WIHHVKUARKTSBU-UHFFFAOYSA-N
Summenformel: C6H7BrN2
Durchschnittliche Molmasse: 187,04 g/mol
Monoisotopische Masse: 185,97926032

Namen und Bezeichner

Bevorzugter Name: 4-Bromobenzene-1,2-diamine
IUPAC: 4-bromobenzene-1,2-diamine
Englischer Name: 4-Bromo-1,2-benzenediamine
Summenformel: C6H7BrN2
Molmasse: 187.04

Namen und Synonyme

4-bromobenzene-1,2-diamine1,2-Benzenediamine, 4-bromo-DTXSID80314531RefChem:520458DTXCID20265654629-615-81575-37-74-Bromo-1,2-benzenediamine4-Bromo-1,2-diaminobenzene1,2-Diamino-4-bromobenzene4-Bromo-o-phenylenediamine2-Amino-4-bromoaniline

Weitere Namen anzeigen

3-BROMO-1,2-DIAMINOBENZENE4-BroMo-12-benzenediaMineBUTTPARK 95\04-564-Bromo-o-phenyleOliceridine Impurity 12

4-Bromo-1,2-phenylenediamineMFCD026606222-amino-4-bromophenylamineUKC7FT8YHS4-Bromo-2-aminoanilineNSC-2851103,4-Diaminobromobenzene4-Bromo-benzene-1,2-diamine

Datenbank-Bezeichner

CAS: 1575-37-7
PubChem CID: 323593
DTXSID: DTXSID80314531
UNII: UKC7FT8YHS
EC Number: 629-615-8
Nikkaji: J80.240I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97,1

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-69 °C (dec.)(lit.)
Siedepunkt: 289.3 · 289.3±20.0 °C(Predicted)
Dichte: 1.697 · 1.697±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in chloroform.
Aggregatzustand: powder to crystal
pka: 3.46 · 3.46±0.10(Predicted)
Farbe: White to Brown
InChI: InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey: WIHHVKUARKTSBU-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1N
CAS Datenbank: 1575 · 1575-37-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Danger

H301 (83.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 28-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7523

1,2-Benzenediamine, 4-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (83.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29215110
risk_code: 25-36/38-43
hazard_code: T
hazard_note: Toxic
safety_code: 26-36/37-45
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden4-Bromo-o-phenylenediamine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.