2-Phenylimidazoline

HCID 13639CAS 936-49-2

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Basic information

Standard SMILES: c1ccc(C2=NCCN2)cc1
InChIKey: BKCCAYLNRIRKDJ-UHFFFAOYSA-N
Molecular formula: C9H10N2
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.08439833

Names & identifiers

Preferred name: 2-Phenylimidazoline
IUPAC: 2-phenyl-4,5-dihydro-1H-imidazole
English name: 2-Phenyl-2-imidazoline
Molecular formula: C9H10N2
Molecular weight: 146.19

Names & synonyms

2-Phenyl-2-imidazoline936-49-22-Phenylimidazoline1H-Imidazole, 4,5-dihydro-2-phenyl-NSC-54747E78R99DCH8DTXSID5061322RefChem:478045DTXCID7048875213-313-42-Phenyl-4,5-dihydro-1H-imidazole2-IMIDAZOLINE, 2-PHENYL-

Show more names

PINLC8DLC8LC8aMH-31DNCL1hdlc1DNCLC1

4,5-Dihydro-2-phenyl-1H-imidazoleNSC 54747MFCD00005180CHEMBL274548F1995-03812-Imidazoline, 2-phenyl- (6CI,7CI,8CI); 2-Phenyl-2-imidazolineEINECS 213-313-4BRN 0119250

Database identifiers

CAS: 936-49-2
PubChem CID: 13639
DTXSID: DTXSID5061322
ChEMBL: CHEMBL274548
UNII: E78R99DCH8
EC Number: 213-313-4
Nikkaji: J103.142B

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 99 · 99-104 °C
Boiling point: 298 °C · 298°C
Density: 1 · 1,15 g/cm3
vapor pressure: 0.001 Pa · 0.001Pa at 20℃
refractive index: 1.56 · 1.5600 (estimate)
Flash point: 201 °C · 201 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.95 · 9.95±0.40(Predicted)
form: Powder
color: Pale brown
Odor: Faint odor
Water Solubility: SOLUBLE
λmax: 325 nm · 325nm(lit.)
BRN: 119250 · 119250
InChI: 1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKey: BKCCAYLNRIRKDJ-UHFFFAOYSA-N
SMILES: C1CN=C(N1)c2ccccc2
LogP: 2.45 at · 2.45 at 25℃
CAS DataBase Reference: 936 · 936-49-2(CAS DataBase Reference)
NCI Dictionary of Cancer Terms: PIN
EPA Substance Registry System: 1 H-Imidazole, · 1H-Imidazole, 4,5-dihydro-2-phenyl- (936-49-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H410
Precautionary statements: 264 · P264-P273-P280-P301+P312-P302+P352-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi,N,Xn
Risk Statements: 22 · 22-34-36/37/38-50/53-41-38
Safety Statements: 26 · 26-36/37/39-45-37/39-61-60-39
RIDADR: 3263 · UN 3263 8/PG 2
WGK Germany: 3 · 3
RTECS: 4395500 · NJ4395500
TSCA: TSCA listed
HS Code: 29332900 · 29332900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: NJ4395500
ridadr: UN 3263 8/PG 2
hs_code: 29332900
risk_code: 22-34-36/37/38-50/53-41-38
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: C,Xi,N,Xn
safety_code: 26-36/37/39-45-37/39-61-60-39
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H318-H410
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Irrit. 2
Precautionary statements: P264-P273-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Description2-Phenyl-2-imidazoline is white crystal and can be used as epoxy resin powder , pharmaceutical raw material or used in organic synthesis.

UsesCatalyst for: N-arylation of indolesEpoxy-carbonyl reactions