Ethyl 4-(1H-imidazol-1-yl)benzoate

HCID 13423940
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Basic information

CAS
86718-07-2
Standard SMILES
CCOC(=O)c1ccc(-n2ccnc2)cc1
InChIKey
JXZSKUXJSZZMON-UHFFFAOYSA-N
Molecular formula
C12H12N2O2
Average molar mass
216.24 g/mol
Monoisotopic mass
216.08987763

Names & identifiers

Preferred name
Ethyl 4-(1H-imidazol-1-yl)benzoate
IUPAC
ethyl 4-imidazol-1-ylbenzoate
English name
4-(Imidazol-1-yl)-benzoic acid ethyl ester
Molecular formula
C12H12N2O2
Molecular weight
216.24

Names & synonyms

86718-07-2ETHYL 4-(1H-IMIDAZOL-1-YL)BENZOATEDTXSID10540386RefChem:343643DTXCID20491173Ethyl 4-(1-Imidazolyl)benzoateMFCD03425368ethyl 4-imidazol-1-ylbenzoate4-(IMIDAZOL-1-YL)-BENZOIC ACID ETHYL ESTEREthyl4-(1-Imidazolyl)benzoateEthyl 4-(imidazol-1-yl)benzoateBenzoic acid, 4-(1H-imidazol-1-yl)-, ethyl ester
Show more names
RARECHEM AL BI 0793Ethyl 4-ImidazolylbenzoateETHYL 6-IMIDAZOL-1-YLPYRIDINE-3-CARBOXYLATE
SCHEMBL5800533JXZSKUXJSZZMON-UHFFFAOYSA-Nethyl 4(1H-imidazol-1-yl)benzoateAKOS015904148AC-22876CS-11038SY003600CS-0151757

Database identifiers

CAS
86718-07-2
PubChem CID
13423940
DTXSID
DTXSID10540386
Nikkaji
J648.458A

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Physicochemical properties

Melting point
101 · 101-103 °C
Boiling point
366.02 · 366.020±25.00 °C(Press: 760.00 Torr)(predicted)
Density
1.155 · 1.155±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Sealed in dry,Room Temperature
pka
5.077 · 5.077±0.10(predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 4-(1H-imidazol-1-yl)benzoate

Upstream & downstream products

Suppliers34 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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