2627-27-2

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2627-27-2 Structure

Identification	More
[Name] 3-PHENYLPROPYL ISOTHIOCYANATE
[CAS] 2627-27-2
[Synonyms] 3-PHENYLPROPYL ISOTHIOCYANATE PHENYLPROPYL ISOTHIOCYANATE, 3- (3-Isothiocyanatopropyl)benzene PHENYLPROPYLISOTHIOCYANATE
[EINECS(EC#)] 220-094-9
[Molecular Formula] C10H11NS
[MDL Number] MFCD00041134
[Molecular Weight] 177.27
[MOL File] 2627-27-2.mol

Chemical Properties	Back Directory
[Boiling point ] 156 °C
[density ] 1.07
[refractive index ] 1.5780
[Fp ] 156-160°C/12mm
[form ] solid
[Specific Gravity] 1.07
[Sensitive ] Moisture Sensitive
[BRN ] 2209321
[InChI] 1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
[InChIKey] GRUOGLPIAPZLHJ-UHFFFAOYSA-N
[SMILES] S=C=NCCCC1=CC=CC=C1
[CAS DataBase Reference] 2627-27-2(CAS DataBase Reference)

Safety Data	Back Directory
[RIDADR ] 2927
[WGK Germany ] WGK 3
[HazardClass ] 8
[PackingGroup ] III
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] 3-Phenylpropyl isothiocyanate is an isothiocyanate inducer of phase II detoxifying enzymes.
[Definition] ChEBI: 1-Isothiocyanato-3-phenylpropane is a member of benzenes.
[in vivo] 3-Phenylpropyl isothiocyanate (5, 1, or 0.2 μmol; gavage; A/J mice; daily for 4 consecutive days prior to administration of 10 μmol of NNK by i.p. injection) effectively inhibited NNK-induced lung tumors.

Spectrum Detail	Back Directory
[Spectrum Detail] 3-PHENYLPROPYL ISOTHIOCYANATE(2627-27-2)¹HNMR

Well-known Reagent Company Product Information	Back Directory
[Alfa Aesar] 3-Phenylpropyl isothiocyanate, 98%(2627-27-2)

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