4-(4-Chlorophenyl)Imidazole
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Basic information
- CAS
35512-29-9- Standard SMILES
Clc1ccc(-c2cnc[nH]2)cc1- InChIKey
DVKIFCXVRCGAEE-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2
- Average molar mass
- 178.62 g/mol
- Monoisotopic mass
- 178.0297759
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)Imidazole
- IUPAC
- 5-(4-chlorophenyl)-1H-imidazole
- English name
- 4-(4-Chlorophenyl)-1H-imidazole
- Molecular formula
- C9H7ClN2
- Molecular weight
- 178.62
Names & synonyms
4-(4-CHLOROPHENYL)IMIDAZOLE5-(4-chlorophenyl)-1H-imidazole4-CPI cpdRefChem:5140794-(4-Chlorophenyl)-1H-imidazole35512-29-94-CPIMFCD00808668SCHEMBL44172SCHEMBL481921SCHEMBL482297orb1701412
Show more names
4-(4-Chlorophenyl)-1HH-imidazoleJR-9091, 4-(4-Chlorophenyl)-1H-imidazole, 97%
SCHEMBL12020014-(4'-chlorophenyl)-imidazoleCHEMBL1231913SCHEMBL27992418SCHEMBL28387855BDBM19475DTXSID70332284DVKIFCXVRCGAEE-UHFFFAOYSA-N
Database identifiers
- CAS
35512-29-9- PubChem CID
- 448632
- DTXSID
DTXSID70332284- ChEMBL
CHEMBL1231913- EC Number
- 626-261-6
- Nikkaji
- J2.071.593F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 136 · 136-142 °C
- Boiling point
- 404.7 · 404.7±20.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- form
- 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
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933299090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn
Suppliers
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Related reactions
6 records
Compound notes
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