2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol

HCID 735573

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Basic information

CAS: 2170-39-0
Standard SMILES: C=CCc1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIKey: YKONWVIRECCMQE-UHFFFAOYSA-N
Molecular formula: C16H15N3O
Average molar mass: 265.31 g/mol
Monoisotopic mass: 265.12151211

Names & identifiers

Preferred name: 2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
IUPAC: 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol
English name: 2-(3-ALLYL-2-HYDROXY-5-METHYLPHENYL)-2H&
Molecular formula: C16H15N3O
Molecular weight: 265.31

Names & synonyms

2170-39-02-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenolDTXSID70352806RefChem:251121DTXCID50303871MFCD00236141UV-92-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol2-allyl-6-(2h-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol2-allyl-6-benzotriazol-2-yl-4-methyl-phenol2-(3-ALLYL-2-HYDROXY-5-METHYLPHENYL)-2H&2-(3-ALLYL-2-HYDROXY-5-METHYLPHENYL)-2H&;2-(3-Allyl-2-hydroxy-5-methylphenyl)-benzotriazole;2-(3-Allyl-2-hydroxy-5-methylphenyl)-2H-benzotriazole,2-Allyl-6-(2H-benzotriazol-2-yl)-p-cresol;2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol 99%

Show more names

2-Allyldrometrizole2-Allyl-6-(2H-benzotriazol-2-yl)-4-methylphenol2-(3-Allyl-2-hydroxy-5-methylphenyl)-benzotriazole2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol 99%Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-propen-1-yl)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol@1000 μg/mL in Acetonitrile

Oprea1_444866SCHEMBL285279SCHEMBL29384819YKONWVIRECCMQE-UHFFFAOYSA-N2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-(prop-2-en-1-yl)phenolSTK834549AKOS001644852CCG-108811

Database identifiers

CAS: 2170-39-0
PubChem CID: 735573
DTXSID: DTXSID70352806
Nikkaji: J1.634.630F

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 335

Physicochemical properties

Melting point: 98 · 98-101 °C (lit.)
Boiling point: 450.6 · 450.6±55.0 °C(Predicted)
Density: 1.3 g/mL · 1.3 g/mL at 25 °C (lit.)
storage temp.: 2 · 2-30°C
solubility: 2 O: · H2O: insoluble
pka: 8.45 · 8.45±0.48(Predicted)
form: powder to crystal
color: White to Light yellow
Water Solubility: 2 O: · H2O: insoluble
InChI: InChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3
InChIKey: YKONWVIRECCMQE-UHFFFAOYSA-N
SMILES: C1(O)=C(CC=C)C=C(C)C=C1N1N=C2C=CC=CC2=N1
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 2933.99 · 2933.99.8290
Storage Class: 11 · 11 - Combustible Solids