CAS 16499-60-8 4-Chloro-5-fluoroquinazoline (HCID 11974445)

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Basic information

CAS: 16499-60-8
Standard SMILES: Fc1cccc2ncnc(Cl)c12
InChIKey: NRVNUZHSKMEHOT-UHFFFAOYSA-N
Molecular formula: C8H4ClFN2
Average molar mass: 182.58 g/mol
Monoisotopic mass: 182.004704

Names & identifiers

Preferred name: 4-Chloro-5-fluoroquinazoline
IUPAC: 4-chloro-5-fluoroquinazoline
English name: 4-CHLORO-5-FLUOROQUINAZOLINE
Molecular formula: C8H4ClFN2
Molecular weight: 182.58

Names & synonyms

4-chloro-5-fluoroquinazoline16499-60-8DTXSID80474982RefChem:98465DTXCID80425792844-627-54-chloro-5-fluoro-quinazolineMFCD087031545-fluoro-4-chloroquinazolineSCHEMBL3276096SCHEMBL3712577SCHEMBL29461096

Show more names

Quinazoline, 4-chloro-5-fluoro-4-chloro-5-fluoroquinazoline - [C83484]

NRVNUZHSKMEHOT-UHFFFAOYSA-NAKOS006229344PB41140AC-36905BS-13690SY031689DB-064563CS-0042907

Database identifiers

CAS: 16499-60-8
PubChem CID: 11974445
DTXSID: DTXSID80474982
EC Number: 844-627-5
Nikkaji: J2.944.358K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Boiling point: 284.9 · 284.9±20.0 °C(Predicted)
Density: 1.447 · 1.447±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.35 · 0.35±0.30(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

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.