CAS 22536-62-5 2-Chloro-5-phenylpyrimidine (HCID 605320)

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Basic information

CAS: 22536-62-5
Standard SMILES: Clc1ncc(-c2ccccc2)cn1
InChIKey: JJNIWMPNOFGQEA-UHFFFAOYSA-N
Molecular formula: C10H7ClN2
Average molar mass: 190.63 g/mol
Monoisotopic mass: 190.0297759

Names & identifiers

Preferred name: 2-Chloro-5-phenylpyrimidine
IUPAC: 2-chloro-5-phenylpyrimidine
English name: 2-Chloro-5-phenyl-pyrimidine
Molecular formula: C10H7ClN2
Molecular weight: 190.63

Names & synonyms

2-Chloro-5-phenylpyrimidine22536-62-5DTXSID30345532RefChem:469449DTXCID20296605983-155-52-Chloro-5-phenyl-pyrimidineMFCD04035567Pyrimidine, 2-chloro-5-phenyl-Pyrimidine,2-chloro-5-phenyl-2-chloro-5-phenypyrimidine2-Chloro-5-phenyl-pyridimine

Show more names

2-CHLORO-5-PHENYL-PYRIMIDINE ISO 9001：2015 REACH

2-Chloro-5-phenylpyrimidine #SCHEMBL1509577AKOS006237655AB16943DS-12331SY116566DB-006074CS-0156398

Database identifiers

CAS: 22536-62-5
PubChem CID: 605320
DTXSID: DTXSID30345532
EC Number: 983-155-5
Nikkaji: J526.233J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 131 · 131-133 °C
Boiling point: 369.9 · 369.9±21.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.71 · -1.71±0.22(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.