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63009-74-5

63009-74-5 Structure

63009-74-5 Structure
IdentificationBack Directory
[Name]

TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE
[CAS]

63009-74-5
[Synonyms]

NSC80668
1-[2-(propylamino)phenyl]ethanone
TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE
trans-2-Phenylcyclopropyl isocyanate, REMAINDER CIS
TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE, 90 %, REMAINDER CIS
trans-2-Phenylcyclopropyl isocyanate 90%, remainder predominantly cis
[Molecular Formula]

C10H9NO
[MDL Number]

MFCD00001273
[MOL File]

63009-74-5.mol
[Molecular Weight]

159.18
Chemical PropertiesBack Directory
[Boiling point ]

75-76 °C0.5 mm Hg(lit.)
[density ]

1.074 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.546(lit.)
[Fp ]

225 °F
[form ]

liquid
[InChI]

1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
[InChIKey]

DYUXVJAFBUZREW-VHSXEESVSA-N
[SMILES]

O=C=N[C@@H]1C[C@H]1c2ccccc2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

23-26-28-37/39
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

trans-2-Phenylcyclopropyl isocyanate was used as isocyante monomer during general solid-phase synthesis for identification of peroxisome proliferator-activated receptor ligands.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE(63009-74-5)1HNMR
TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE(63009-74-5)FT-IR
TRANS-2-PHENYLCYCLOPROPYL ISOCYANATE(63009-74-5)Raman
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