2-Thiazolamine, 5-bromo-

HCID 43600CAS 3034-22-8

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Grundinformationen

Standard-SMILES: Nc1ncc(Br)s1
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
Summenformel: C3H3BrN2S
Durchschnittliche Molmasse: 179,04 g/mol
Monoisotopische Masse: 177,9200312

Namen und Bezeichner

Bevorzugter Name: 2-Thiazolamine, 5-bromo-
IUPAC: 5-bromo-1,3-thiazol-2-amine
Englischer Name: 2-Amino-5-bromothiazole
Summenformel: C3H3BrN2S
Molmasse: 179.04

Namen und Synonyme

2-Amino-5-bromothiazole5-Bromo-1,3-thiazol-2-amine2-Thiazolamine, 5-bromo-RefChem:483723819-500-2924-305-13034-22-85-bromothiazol-2-amine5-Bromo-thiazol-2-ylamineMFCD000168932-amino-5-bromo-thiazole5-bromo-1,3-thiazole-2-ylamine

Weitere Namen anzeigen

5-broMo-2-aMino-thiazole5-BROMO-2-AMINOTHIAZOLE HYDROBROMIDETIMTEC-BB SBB0002045-Bromo-2-thiazolamine5-Bromothiazole-2-amine

5-Bromothiazol-2-ylamine5-bromo-2-aminothiazole2-amino-5 -bromothiazole5-bromo-thiazol-2-yl-amineSCHEMBL344676orb3174570SCHEMBL9328902CHEMBL5179176

Datenbank-Bezeichner

CAS: 3034-22-8
PubChem CID: 43600
DTXSID: DTXSID20275455
ChEMBL: CHEMBL5179176
EC Number: 819-500-2、924-305-1
Nikkaji: J59.596I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 67,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 70

Physikochemische Eigenschaften

Schmelzpunkt: 165 °C · 165 °C (dec.)(lit.)
Siedepunkt: 287.6 · 287.6±13.0 °C(Predicted)
Dichte: 1.976 · 1.976±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: solid
pka: 3.22 · 3.22±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
SMILES: S1C(Br)=CN=C1N
CAS Datenbank: 3034 · 3034-22-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information2-Thiazolamine, 5-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2934100090
RTECS-Nr.: XJ1262200
risk_code: 22-36
hazard_code: Xn
safety_code: 26-36/37

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Amino-5-bromothiazole is a type of aliphatic hydrocarbon that has been synthesized by Friedel-Crafts acylation. This chemical is used to neutralize typhimurium and can be used in the synthesis of other compounds. The functional theory on how 2-amino-5-bromothiazole works may be due to its ability to form nitro groups, which are highly reactive and cause depression in the reaction scheme. 2-Amino-5-bromothiazole is often used as a test organism for other organisms in order to measure their sensitivity to different types of chemicals. It has also been shown that it has an effect on hydrocarbons, which have been shown to have an effect on organisms such as bacteria.