5-Methoxy-1H-benzotriazole

Basic Information

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CAS Number

27799-91-3

Molecular Formula

C7H7N3O

Molecular Weight

149.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

126.8-127.2 ºC (water )

SMILES

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COC1=CC2=NNN=C2C=C1

InChI

InChI=1S/C7H7N3O/c1-11-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)

InChIKey

SUPSFAUIWDRKKZ-UHFFFAOYSA-N

LogP

0.9664999999999999

Topological Polar Surface Area

50.8 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

142

Synonyms & References

English

5-Methoxybenzotriazole
CBA79991
5-Methoxy-2H-benzo[d][1,2,3]triazole
EINECS 248-663-7
AKOS006274267
CS-0187155
5-methoxy-2H-benzotriazole
27799-91-3
6-methoxyl-1H-benzotriazole
5-Methoxy-1H-benzo[d][1,2,3]triazole
NS00050949
MFCD00962763
6-methoxy-1H-1,2,3-benzotriazole
6-methoxy-benzotriazole
5-methoxy-2H-1,2,3-benzotriazole
5-Methoxy-1H-1,2,3-benzotriazole #
5-methoxy,1h-benzotriazole
AC-33895
1H-Benzotriazole,5-methoxy-
D78611
DTXSID70182120
6-methoxyl-benzotriazole
SCHEMBL204478
1H-Benzotriazole, 6-methoxy-
1H-Benzotriazole, 5-methoxy-
2172826-94-5
5-Methoxy-1H-benzotriazole
SCHEMBL16178973
6-methoxy-1h-benzotriazole
DS-5070
FT-0638725

MDL Number

MFCD00962763

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Methoxy-1H-benzotriazole (CAS: 27799-91-3)?

5-Methoxy-1H-benzotriazole is a white crystalline solid with a molecular weight of approximately 218.21 g/mol. It has a high solubility in organic solvents like DMF and DMSO but limited solubility in water. Chemically, it is stable but can undergo hydrolysis in basic media. It is used as a UV absorber and photostabilizer in various applications.

How is 5-Methoxy-1H-benzotriazole (CAS: 27799-91-3) typically synthesized?

5-Methoxy-1H-benzotriazole is commonly synthesized via the reaction of 1,4-benzotriazol-1-ylium tosylate with methanol. The process involves the deprotonation of 1,4-benzotriazol-1-yl tosylate with a strong base like sodium hydride, followed by the addition of methanol. The reaction yields a methoxy-protected benzotriazole with high selectivity and good yield.

What industries use 5-Methoxy-1H-benzotriazole (CAS: 27799-91-3)?

5-Methoxy-1H-benzotriazole is widely used in the pharmaceutical industry as a photoprotective agent in drug formulations. It is also utilized in the polymer industry for UV stabilization, in the semiconductor industry as a precursor for photolithography, and in sensor technology for its photochemical properties.

What precautions should be taken when handling 5-Methoxy-1H-benzotriazole (CAS: 27799-91-3)?

When handling 5-Methoxy-1H-benzotriazole, it is essential to wear appropriate personal protective equipment (PPE), including gloves and goggles. Ensure the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using an appropriate absorbent material followed by thorough cleaning with water and detergent. Always consult the safety data sheet (SDS) for detailed handling and emergency procedures.