3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1)

Basic Information

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CAS Number

61-76-7

Molecular Formula

C9H14ClNO2

Molecular Weight

203.67 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

143-145 °C

Boiling Point

341.1 °C at 760 mmHg

Water Solubility

>=10 g/100 mL at 21 ºC

Flash Point

9℃

Refractive Index

-45.5 ° (C=1, H2O)

Vapor Pressure

No data available

Specific Rotation

-47 º (c=2, H2O)

SMILES

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CNC[C@@H](c1cccc(c1)O)O.Cl

InChI

InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1

InChIKey

OCYSGIYOVXAGKQ-FVGYRXGTSA-N

LogP

1.0667999999999997

pKa

pK1 8.77; pK2 9.84(at 25℃)

Topological Polar Surface Area

52.489999999999995 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

130

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in rats (mg/kg): 17 ±1.1 i.p.; 33 ±2.0 s.c. (Warren, Werner)

Synonyms & References

English

(R)-3-(1-Hydroxy-2-(methylamino)ethyl)phenol hydrochloride
L-Phenylephrine hydrochloride
(R)-3-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride
Phenylephrine HCL
R-(-)-Phenylephrine hydrochloride
(R)-Phenylephrine Hydrochloride
(R)-(-)-Phenylephrine (hydrochloride)
(R)-(-)-Phenylephrine hydrochloride
(R)-Phenylephrine Hy
L(-)-Phenylephrine hydrochloride
PHENYLEPHRINE HCL(METASYNEPHRINE)(P)
Phenylephrine hydrochloride
R(-)-Phenylephrine hydrochloride solution
almefrin
consdrin
efricel
emagrin
fenilfar
fenox
lexatol
metaoxedrin
Neosynephrine hydrocholride
rhinall
synasal
uri
(R)-(-)-3-[1-Hydroxy-2-(methylamino)ethyl]phenol Hydrochloride
(R)-(-)-3-Hydroxy-α-(methylaminomethyl)benzyl Alcohol Hydrochloride
(R)-(-)-1-(3-Hydroxyphenyl)-2-(methylamino)ethanol Hydrochloride
(R)-(-)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride
3-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol
Phenylephrine Hc

MDL Number

MFCD00012605

Customs Code

2937229000

FAQ

What is 3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7)?

3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) is a chemical compound with the CAS number 61-76-7. It features a phenol ring substituted with a hydroxyethyl group containing a methylamino functional group, forming a hydrochloride salt. This compound is known for its solubility in water and is commonly used in pharmaceutical and industrial applications. Its molecular formula is C9H11NO2·HCl, and it exhibits properties typical of phenolic derivatives with amine functionalities.

What are the main uses of 3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7)?

3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7) is primarily used as an intermediate in pharmaceutical synthesis, particularly for antihistamines and other drugs. It also finds applications in dye manufacturing, polymer chemistry, and research for its reactivity. Due to its chemical structure, it is valued for its role in creating functionalized aromatic compounds and may be used in specialty chemical formulations.

Is 3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7) safe?

3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7) requires careful handling due to its potential to cause skin and eye irritation. Safety data sheets (SDS) classify it as a moderate hazard, emphasizing the need for protective gloves, goggles, and proper ventilation. While it is generally considered safe in controlled environments, adherence to safety standards and avoiding ingestion or inhalation is crucial to minimize risks.

How should 3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7) be stored?

3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) (CAS: 61-76-7) should be stored in a cool, dry place, away from light and moisture. Keep in airtight containers made of glass or plastic to maintain stability. It is recommended to store at temperatures below 25°C and avoid exposure to air or humidity to prevent degradation. Proper storage ensures safety and maintains the compound's chemical integrity.