ChemicalBook--->CAS DataBase List--->3438-48-0

3438-48-0

3438-48-0 Structure

3438-48-0 Structure
IdentificationBack Directory
[Name]

4-Phenylpyrimidine
[CAS]

3438-48-0
[Synonyms]

NSC 84249
4-phenyl-pyrimidin
6-phenylpyrimidine
4-PHENYLPYRIMIDINE
RARECHEM AL BO 0576
Pyrimidine,4-phenyl-
5-CHLORO-2-ANISIC ACID
4-Phenylpyrimidine,96%
2-METHOXY-5-CHLOROBENZOIC ACID
[EINECS(EC#)]

222-345-8
[Molecular Formula]

C10H8N2
[MDL Number]

MFCD00017546
[MOL File]

3438-48-0.mol
[Molecular Weight]

156.19
Chemical PropertiesBack Directory
[Appearance]

light yellow crystalline powder
[Melting point ]

98-100 °C(lit.)
[Boiling point ]

270.42°C (rough estimate)
[density ]

1.1566 (rough estimate)
[refractive index ]

1.6057 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

1.57±0.10(Predicted)
[color ]

White to Yellow to Orange
[InChI]

InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
[InChIKey]

MKLQPIYLZMLAER-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(C2=CC=CC=C2)=N1
Hazard InformationBack Directory
[Chemical Properties]

light yellow crystalline powder
[Definition]

ChEBI: A biaryl that is pyrimidine substituted at position 4 by a phenyl group.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 47, p. 2673, 1982 DOI: 10.1021/jo00134a034
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

36/37/38-36-22
[Safety Statements ]

26-37/39-24/25
[WGK Germany ]

3
[RTECS ]

UV9640000
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

4-Phenylpyrimidine(3438-48-0)MS
4-Phenylpyrimidine(3438-48-0)1HNMR
4-Phenylpyrimidine(3438-48-0)13CNMR
4-Phenylpyrimidine(3438-48-0)IR1
4-Phenylpyrimidine(3438-48-0)IR2
4-Phenylpyrimidine(3438-48-0)Raman
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