ChemicalBook--->CAS DataBase List--->5190-68-1

5190-68-1

5190-68-1 Structure

5190-68-1 Structure
IdentificationMore
[Name]

4-CHLORO-QUINAZOLINE
[CAS]

5190-68-1
[Synonyms]

4-CHLORO-QUINAZOLINE
AKOS BBS-00004561
[Molecular Formula]

C8H5ClN2
[MDL Number]

MFCD00228682
[Molecular Weight]

164.59
[MOL File]

5190-68-1.mol
Chemical PropertiesBack Directory
[Melting point ]

96-100 °C
[Boiling point ]

281.0±13.0 °C(Predicted)
[density ]

1.349±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

MeOH
[form ]

Solid
[pka]

0.83±0.30(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
[InChIKey]

GVRRXASZZAKBMN-UHFFFAOYSA-N
[SMILES]

N1=C2C(C=CC=C2)=C(Cl)N=C1
[CAS DataBase Reference]

5190-68-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H318-H335
[Precautionary statements ]

P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xi
[Risk Statements ]

25-37/38-41
[Safety Statements ]

26-39-45
[RIDADR ]

UN 2811
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

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

Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonium hydroxide-->Phosphorus pentachloride-->Anthranilic acid-->Quinazoline-->4-Hydroxyquinazoline
[Preparation Products]

4-(p-Hydroxyanilino)quinazoline-->Quinazolin-4-ylamine-->2-[(quinazolin-4-yl)amino]ethan-1-ol-->1-Quinazolin-4-yl-piperidine-4-carboxylic acid-->1-(4-Quinazolinyl)-4-piperidinamine-->tert-Butyl N-[1-(quinazolin-4-yl)piperidin-4-yl]carbamate
Hazard InformationBack Directory
[Uses]

4-Chloroquinazoline can be used to prepare agricultural fungicides.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloroquinazoline(5190-68-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5190-68-1(sigmaaldrich)
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