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39186-58-8

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39186-58-8 Structure

Identification	More
[Name] 4-BROMO-2,2-DIPHENYLBUTYRONITRILE
[CAS] 39186-58-8
[Synonyms] 4-BROMO-2,2-DIPHENYLBUTANENITRILE 4-BROMO-2,2-DIPHENYLBUTYRONITRILE ALPHA-(2-BROMOETHYL)-ALPHA-PHENYLBENZENEACETONITRILE BROMOETHYL DIPHENYL ACETONITRILE LABOTEST-BB LT00159482 -(2-Bromoethyl)-phenylbenzeneacetonitrile 4-(2-Bromoethyl)-phenylbenzeneacetonitrile 4-bromo-2,2-diphenylbutyronitrlle 2,2-Diphenyl-4-bromobutanenitrile 2,2-Diphenyl-4-bromobutyronitrile 3-Cyano-3,3-diphenylpropyl bromide
[EINECS(EC#)] 254-337-5
[Molecular Formula] C16H14BrN
[MDL Number] MFCD00001845
[Molecular Weight] 300.19
[MOL File] 39186-58-8.mol

Chemical Properties	Back Directory
[Appearance] white to light yellow crystalline powder
[Melting point ] 67-69 °C(lit.)
[Boiling point ] 160-165 °C (0.15002 mmHg)
[density ] 1.4184 (rough estimate)
[vapor pressure ] 0Pa at 20℃
[refractive index ] 1.5260 (estimate)
[storage temp. ] Sealed in dry,Room Temperature
[solubility ] Chloroform (Slightly) Ethyl Acetate (Slightly)
[form ] Solid
[color ] White
[Water Solubility ] 10μg/L at 20℃
[BRN ] 1684952
[InChI] InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
[InChIKey] IGYSFJHVFHNOEI-UHFFFAOYSA-N
[SMILES] C(C1C=CC=CC=1)(C1C=CC=CC=1)(C#N)CCBr
[LogP] 4.2
[CAS DataBase Reference] 39186-58-8(CAS DataBase Reference)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07,GHS06
[Signal word ] Warning
[Hazard statements ] H302+H312+H332-H315-H319-H302-H312-H331
[Precautionary statements ] P280h-P304+P340-P311a-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
[Hazard Codes ] Xn
[Risk Statements ] R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S36:Wear suitable protective clothing . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ] 3276
[WGK Germany ] 3
[REACH Registrations] Active
[HazardClass ] 6.1
[PackingGroup ] III
[HS Code ] 29269090

Raw materials And Preparation Products	Back Directory
[Raw materials] Aluminium chloride hexahydrate-->phenylacetonitrile-->Diphenylacetonitrile-->Chloropicrin & ethylene dibromide
[Preparation Products] 4-(4-Chlorophenyl)-4-hydroxy-a,a-diphenyl-1-piperidinebutanenitrile-->2,2-diphenylbutyronitrile

Hazard Information	Back Directory
[Chemical Properties] white to light yellow crystalline powder
[Uses] 4-BROMO-2,2-DIPHENYLBUTYRONITRILE is a reagent used in the prepration of neurological antagonists.
[Flammability and Explosibility] Notclassified

Spectrum Detail	Back Directory
[Spectrum Detail] 4-BROMO-2,2-DIPHENYLBUTYRONITRILE(39186-58-8)MS 4-BROMO-2,2-DIPHENYLBUTYRONITRILE(39186-58-8)¹HNMR 4-BROMO-2,2-DIPHENYLBUTYRONITRILE(39186-58-8)¹³CNMR 4-BROMO-2,2-DIPHENYLBUTYRONITRILE(39186-58-8)IR1 4-BROMO-2,2-DIPHENYLBUTYRONITRILE(39186-58-8)IR2

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-Bromo-2,2-diphenylbutyronitrile, 95%(39186-58-8)
[Alfa Aesar] 4-Bromo-2,2-diphenylbutyronitrile, 95%(39186-58-8)
[Sigma Aldrich] 39186-58-8(sigmaaldrich)
[TCI AMERICA] 4-Bromo-2,2-diphenylbutyronitrile,>95.0%(GC)(39186-58-8)

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