2-(4-Bromothiophen-2-yl)acetic acid
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Grundinformationen
- CAS
161942-89-8- Standard-SMILES
O=C(O)Cc1cc(Br)cs1- InChIKey
RQLBAXZWESSFHI-UHFFFAOYSA-N- Summenformel
- C6H5BrO2S
- Durchschnittliche Molmasse
- 221,07 g/mol
- Monoisotopische Masse
- 219,91936
Namen und Bezeichner
- Bevorzugter Name
- 2-(4-Bromothiophen-2-yl)acetic acid
- IUPAC
- 2-(4-bromothiophen-2-yl)acetic acid
- Englischer Name
- 4-bromothiophene-2-acetic acid
- Summenformel
- C6H5BrO2S
- Molmasse
- 221.07
Namen und Synonyme
2-(4-bromothiophen-2-yl)acetic acidRefChem:457131683-603-7161942-89-84-bromothiophene-2-acetic acid(4-Bromothien-2-yl)acetic acidMFCD098393104-bromo-2-carboxymethylthiophene2-Thiopheneacetic acid, 4-bromo-SCHEMBL14929362-(4-Bromo-2-thienyl)acetic Acid4-Bromothiophene-2-acetic acid, 97%
Weitere Namen anzeigen
4-Bromothiophene-2-acetic acid 97%
SY358311D97326(4-bromothiophen-2-yl)acetic acid4-bromo-2-thiopheneaceti4-bromo-2-thiopheneacetic acidDTXSID70611728LGA942892-(4-bromothiophen-2-yl)aceticacid
Datenbank-Bezeichner
- CAS
161942-89-8- PubChem CID
- 21260730
- DTXSID
DTXSID70611728- EC Number
- 683-603-7
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 65,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 140
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · 87-92℃
- Siedepunkt
- 331.2 · 331.2±27.0 °C(Predicted)
- Dichte
- 1.804 · 1.804±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Aggregatzustand
- powder
- pka
- 4.06 · 4.06±0.10(Predicted)
- Farbe
- Brown
- InChI
- InChI=1S/C6H5BrO2S/c7-4-1-5(10-3-4)2-6(8)9/h1,3H,2H2,(H,8,9)
- InChIKey
- RQLBAXZWESSFHI-UHFFFAOYSA-N
- SMILES
- C1(CC(O)=O)SC=C(Br)C=1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 40 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Anbieter44 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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