2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one

Basic Information

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CAS Number

1218-69-5

Molecular Formula

C14H9NO3

Molecular Weight

239.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

204.0 to 208.0 deg-C

Boiling Point

424.951°C at 760 mmHg

Density

1.342

Flash Point

210.803 °C

Refractive Index

1.657

SMILES

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C1=CC=C(C(=C1)C2=NC(=O)C3=CC=CC=C3O2)O

InChI

InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H

InChIKey

NSWIROGSZPXREF-UHFFFAOYSA-N

LogP

2.560600000000001

Topological Polar Surface Area

63.330000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

366

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(2-hydroxyphenyl)-benz[e][1,3]oxazin-4-one
MFCD02234511
AC-8966
Deferasirox impurity B [EP]
NSWIROGSZPXREF-UHFFFAOYSA-N
EN300-7399628
Oprea1_522502
2-(2-Hydroxyphenyl)-4H-benzo[e][1,3]oxazin-4-one
FT-0670006
H1653
2-(2-Hydroxyphenyl)-4H-1,3-benzoxazine-4-one
4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-
2-(2-hydroxyphenyl)benz(e][1,3]oxazin-4-one
AM84357
DEFERASIROX IMPURITY B [EP IMPURITY]
SS-4797
2-(2-Hydroxyphenyl)benz[e][1,3]oxazin-4-one
SCHEMBL61277
AKOS015909621
CS-0315238
2-(2-hydroxyphenyl)-4H-1,3-benzoxazin-4-one
2-(2-hydroxyphenyl)-benz[1,3]oxazin-4-one
2-(2-hydroxyphenyl)benz[e][1,3]oxazin4-one
SY030380
J-505646
UNII-FQ3SS25RJ9
Deferasirox Benzoxazin Impurity
2-(2-hydroxyphenyl)-1,3(4h)-benzoxazin-4-one
FQ3SS25RJ9
1218-69-5
2-(2-HYDROXYPHENYL)-1,3-BENZOXAZIN-4-ONE

MDL Number

MFCD02234511

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5)?

2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5) is a white to off-white crystalline solid. It has a molecular weight of approximately 220.20 g/mol and is slightly soluble in water. This compound is known for its hydrolytic stability and exhibits limited reactivity under normal conditions.

How is 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5) typically synthesized?

2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5) is commonly synthesized via a condensation reaction between 2-hydroxybenzaldehyde and urea. The process involves the use of an acid catalyst, such as hydrochloric acid, and typically yields a product with a purity of over 95%.

What industries use 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5)?

2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5) is utilized in the pharmaceutical industry for its potential as a drug precursor, in polymer science for its use as a monomer, and in sensing applications due to its ability to respond to specific chemical environments.

What precautions should be taken when handling 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5)?

When handling 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one (CAS: 1218-69-5), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Ensure that work is conducted in a fume hood to avoid inhalation. In case of a spill, it should be cleaned up carefully according to the Material Safety Data Sheet (MSDS). Always refer to the latest SDS for specific safety information.