4-(4-Chlorophenyl)Imidazole
Grundinformationen
- CAS
35512-29-9- Standard-SMILES
Clc1ccc(-c2cnc[nH]2)cc1- InChIKey
DVKIFCXVRCGAEE-UHFFFAOYSA-N- Summenformel
- C9H7ClN2
- Durchschnittliche Molmasse
- 178,62 g/mol
- Monoisotopische Masse
- 178,0297759
Namen und Bezeichner
- Bevorzugter Name
- 4-(4-Chlorophenyl)Imidazole
- IUPAC
- 5-(4-chlorophenyl)-1H-imidazole
- Englischer Name
- 4-(4-Chlorophenyl)-1H-imidazole
- Summenformel
- C9H7ClN2
- Molmasse
- 178.62
Namen und Synonyme
4-(4-CHLOROPHENYL)IMIDAZOLE5-(4-chlorophenyl)-1H-imidazole4-CPI cpdRefChem:5140794-(4-Chlorophenyl)-1H-imidazole35512-29-94-CPIMFCD00808668SCHEMBL44172SCHEMBL481921SCHEMBL482297orb1701412
Weitere Namen anzeigen
4-(4-Chlorophenyl)-1HH-imidazoleJR-9091, 4-(4-Chlorophenyl)-1H-imidazole, 97%
SCHEMBL12020014-(4'-chlorophenyl)-imidazoleCHEMBL1231913SCHEMBL27992418SCHEMBL28387855BDBM19475DTXSID70332284DVKIFCXVRCGAEE-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
35512-29-9- PubChem CID
- 448632
- DTXSID
DTXSID70332284- ChEMBL
CHEMBL1231913- EC Number
- 626-261-6
- Nikkaji
- J2.071.593F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 143
Physikochemische Eigenschaften
- Schmelzpunkt
- 136 · 136-142 °C
- Siedepunkt
- 404.7 · 404.7±20.0 °C(Predicted)
- Dichte
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- Aggregatzustand
- solid
- pka
- 12.92 · 12.92±0.10(Predicted)
- InChI
- 1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
- InChIKey
- DVKIFCXVRCGAEE-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)-c2c[nH]cn2
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 4 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. 3 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933299090
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Chemie und Industrie
Anbieter25 Anbieter
韶远科技(上海)有限公司4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海堃睿化工科技有限公司+86-021-50935922
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
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