5-Bromo-2,3,3-trimethyl-3H-indole
Grundinformationen
- CAS
54136-24-2- Standard-SMILES
CC1=Nc2ccc(Br)cc2C1(C)C- InChIKey
OUWLZEOAVCFTAQ-UHFFFAOYSA-N- Summenformel
- C11H12BrN
- Durchschnittliche Molmasse
- 238,12 g/mol
- Monoisotopische Masse
- 237,01531
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromo-2,3,3-trimethyl-3H-indole
- IUPAC
- 5-bromo-2,3,3-trimethylindole
- Englischer Name
- 2,3,3-Trimethyl-5-bromo-3H-indole
- Summenformel
- C11H12BrN
- Molmasse
- 238.12
Namen und Synonyme
5-BROMO-2,3,3-TRIMETHYL-3H-INDOLE54136-24-2DTXSID80459476RefChem:301490DTXCID904102952,3,3-TRIMETHYL-5-BROMO-3H-INDOLE5-BROMO-2,3,3-TRIMETHYLINDOLEMFCD077794905-bromo-2,3,3-trimethyl-indole5-bromo-2,3,3-trimethylindolenine3-trimethyl-3H-indoleSCHEMBL317019
Weitere Namen anzeigen
OUWLZEOAVCFTAQ-UHFFFAOYSA-NAC8778AKOS0159588563H-Indole, 5-bromo-2,3,3-trimethyl-AC-26882AS-61236SY262945DB-024829
Datenbank-Bezeichner
- CAS
54136-24-2- PubChem CID
- 11230141
- DTXSID
DTXSID80459476- EC Number
- 966-243-8
- Nikkaji
- J1.770.237H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 12,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 244
Physikochemische Eigenschaften
- Siedepunkt
- 285 ℃ · 285℃
- Dichte
- 1.37 · 1.37
- Flammpunkt
- 126 ℃ · 126℃
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- 4.97 · 4.97±0.40(Predicted)
- InChI
- InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
- InChIKey
- OUWLZEOAVCFTAQ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(Br)C=C2)C(C)(C)C=1C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Chemie und Industrie
Anbieter51 Anbieter
上海康恩博医药科技有限公司17510465506 · [email protected]
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陕西缔都新材料有限公司81124267 17392282731 · [email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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Alfa Chemistry1-516-6625404 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
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