2-Bromo-1,3-thiazole-5-carbonitrile
Grundinformationen
- CAS
440100-94-7- Standard-SMILES
N#Cc1cnc(Br)s1- InChIKey
RCVDPJMWWCIVJV-UHFFFAOYSA-N- Summenformel
- C4HBrN2S
- Durchschnittliche Molmasse
- 189,04 g/mol
- Monoisotopische Masse
- 187,90438
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-1,3-thiazole-5-carbonitrile
- IUPAC
- 2-bromo-1,3-thiazole-5-carbonitrile
- Englischer Name
- 2-bromothiazole-5-carbonitrile
- Summenformel
- C4HBrN2S
- Molmasse
- 189.03
Namen und Synonyme
2-bromo-1,3-thiazole-5-carbonitrileDTXSID90591351RefChem:465815DTXCID80542115440100-94-72-BROMOTHIAZOLE-5-CARBONITRILE2-Bromo-5-cyanothiazole5-Thiazolecarbonitrile, 2-bromo-MFCD099096512-bromo-5-cyano-thiazoleSCHEMBL1237780CHEMBL5173343
Weitere Namen anzeigen
5-Thiazolecarbonitrile,2-bromo-RCVDPRCVDPJMWWCIVJV-UHFFFAOYSA-N2-BROMO-5-THIAZOLECARBONITRILEAKOS006312129CS-W005651FS-2734MB08177
Datenbank-Bezeichner
- CAS
440100-94-7- PubChem CID
- 17860952
- DTXSID
DTXSID90591351- ChEMBL
CHEMBL5173343- EC Number
- 839-586-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 64,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 129
Physikochemische Eigenschaften
- Siedepunkt
- 276.1 · 276.1±13.0 °C(Predicted)
- Dichte
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.28 · -2.28±0.10(Predicted)
- InChI
- InChI=1S/C4HBrN2S/c5-4-7-2-3(1-6)8-4/h2H
- InChIKey
- RCVDPJMWWCIVJV-UHFFFAOYSA-N
- SMILES
- S1C(C#N)=CN=C1Br
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]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 3 reports by companies from 2 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%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2934100090
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter66 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司
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