6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride (1:1)

Basic Information

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CAS Number

71472-57-6

Molecular Formula

C9H12ClNO

Molecular Weight

149.19 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

SMILES

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CC1=CC2=C(C=C1)OCCN2

InChI

InChI=1S/C9H11NO.ClH/c1-7-2-3-9-8(6-7)10-4-5-11-9;/h2-3,6,10H,4-5H2,1H3;1H

InChIKey

ULKSDCUZZKEUJG-UHFFFAOYSA-N

LogP

1.7993199999999998

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

138

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MLS000033437
AKOS000792985
6-METHYL-3,4-DIHYDRO-2H-1,4BEZOXAZINE
VKWQSTIJYWQSAL-UHFFFAOYSA-N
FT-0681717
6-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE
71472-57-6
VT1288
MD-0731
2H-1,4-Benzoxazine, 3,4-dihydro-6-methyl-
EN300-178629
AB10553
CS-0205139
HMS2439G06
SMR000007799
CHEMBL1532888
MFCD01935457
SCHEMBL2933658
DTXSID00349481
6-METHYL-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
AM804267
6-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine
6-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine hydrochloride
2H-1,4-Benzoxazine,3,4-dihydro-6-methyl-
6-Methyl-3,4-dihydro-2H-1,4-benzoxazine
3,4-dihydro-6-methyl-2H-1,4-benzoxazine
6-Methyl-3,4-dihydro-2H-1,4-benzo-oxazin
6-methyl-benzomorpholine

MDL Number

MFCD01935457

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride (CAS: 71472-57-6)?

6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride is a crystalline solid with a molecular weight of approximately 245.7 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is relatively stable but can undergo hydrolysis under basic conditions. It has a pKa of about 5.5, indicating it is a weak acid.

How is 6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride (CAS: 71472-57-6) typically synthesized?

6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride is typically synthesized by the condensation of methyl acrylate with hydrazine, followed by reaction with a base to form the hydrochloride salt. This process involves mild conditions and is carried out in a suitable solvent.

What industries use 6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride (CAS: 71472-57-6)?

6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride is used in the pharmaceutical industry for its potential as a drug intermediate. It also has applications in the polymer industry for modifying polymers and in the development of sensors for detecting specific chemical compounds.

What precautions should be taken when handling 6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride (CAS: 71472-57-6)?

When handling 6-Methyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be neutralized with an appropriate base and cleaned up carefully. Always refer to the Safety Data Sheet (SDS) for detailed safety information.