4-Bromo-1,3-dimethyl-1H-pyrazole
Grundinformationen
- CAS
5775-82-6- Standard-SMILES
Cc1nn(C)cc1Br- InChIKey
UESOBPUTZLYSGI-UHFFFAOYSA-N- Summenformel
- C5H7BrN2
- Durchschnittliche Molmasse
- 175,03 g/mol
- Monoisotopische Masse
- 173,97926
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromo-1,3-dimethyl-1H-pyrazole
- IUPAC
- 4-bromo-1,3-dimethylpyrazole
- Englischer Name
- AKOS B019512
- Summenformel
- C5H7BrN2
- Molmasse
- 175.03
Namen und Synonyme
4-bromo-1,3-dimethyl-1H-pyrazole5775-82-6DTXSID30504420RefChem:518838DTXCID20455230962-719-44-bromo-1,3-dimethylpyrazoleMFCD009854881H-Pyrazole, 4-bromo-1,3-dimethyl-SCHEMBL671995BBL016252STK349579
Weitere Namen anzeigen
AKOS B019512ART-CHEM-BB B019512TIMTEC-BB SBB0056131,3-Dimethyl-4-brom-pyrazol4-bromo-1,3-dimethyl-1H-pyrazole(SALTDATA: FREE)
AKOS000309946PB23204AS-39451SY0246364-Bromo-1,3-dimethyl-1H-pyrazole, 97%AM8040774-bromo-1,3-dimethyl-pyrazoleSCHEMBL16911855
Datenbank-Bezeichner
- CAS
5775-82-6- PubChem CID
- 12615416
- DTXSID
DTXSID30504420- EC Number
- 962-719-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 17,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 86
Physikochemische Eigenschaften
- Siedepunkt
- 100 °C · 100 °C(Press: 30 Torr)
- Dichte
- 1.487 g/mL · 1.487 g/mL at 25 °C
- Brechungsindex
- 1.5214 · 1.5214 (estimate)
- Flammpunkt
- 103 °C · 103 °C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- liquid
- pka
- 0.68 · 0.68±0.10(Predicted)
- InChI
- InChI=1S/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
- InChIKey
- UESOBPUTZLYSGI-UHFFFAOYSA-N
- SMILES
- N1(C)C=C(Br)C(C)=N1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.；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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29331990
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter66 Anbieter
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…