ChemicalBook--->CAS DataBase List--->6818-99-1

6818-99-1

6818-99-1 Structure

6818-99-1 Structure
IdentificationMore
[Name]

3-Chloro-1,2,4-triazole
[CAS]

6818-99-1
[Synonyms]

3-CHLORO-1,2,4-TRIAZOLE
3-CHLORO-1H-[1,2,4]TRIAZOLE
CHEMBRDG-BB 4017309
3-Chloro-s-triazole
4-triazole,3-chloro-1h-2
s-Triazole, 3-chloro-
3-Chloro-4H-1,2,4-triazole
5-Chloro-1H-1,2,4-triazole
[EINECS(EC#)]

229-892-1
[Molecular Formula]

C2H2ClN3
[MDL Number]

MFCD00128812
[Molecular Weight]

103.51
[MOL File]

6818-99-1.mol
Chemical PropertiesBack Directory
[Melting point ]

167.0 to 171.0 °C
[Boiling point ]

276.0±23.0 °C(Predicted)
[density ]

1.564±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[solubility ]

Soluble in methanol.
[form ]

powder to crystal
[pka]

7.96±0.20(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
[InChIKey]

QGOUKZPSCTVYLX-UHFFFAOYSA-N
[SMILES]

N1C(Cl)=NC=N1
[CAS DataBase Reference]

6818-99-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-1,2,4-Triazole, 3-chloro-(6818-99-1)
[EPA Substance Registry System]

6818-99-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[TSCA ]

Yes
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow to off-white solid
[Uses]

3-Chloro-1,2,4-triazole is used as pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-1,2,4-triazole(6818-99-1)1HNMR
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