1-Chloro-2-methyl-2-propanol

Basic Information

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CAS Number

558-42-9

Molecular Formula

C4H9ClO

Molecular Weight

108.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-20°C

Boiling Point

124-128 °C

Refractive Index

n20/D 1.439(lit.)

SMILES

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CC(C)(CCl)O

InChI

InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3

InChIKey

JNOZGFXJZQXOSU-UHFFFAOYSA-N

LogP

0.9961

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

42.8

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

NSC46574
1-Chloro-tert-butyl alcohol
NSC 46574
CS-0030576
EN300-93821
1-CHLORO-2-METHYLPROPANOL-2-OL
AKOS006221919
Chloro-tert-butyl alcohol
2-Chloro-tert-butyl Alcohol
1-Chloro-2-methylpropan-2-ol
1-Chloro-2-methyl-2-propanol, 97%
InChI=1/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
JNOZGFXJZQXOSU-UHFFFAOYSA-
FT-0607603
Chloro-tert-butanol
AMY10400
AS-31087
J-504500
NSC-46574
NS00033413
1-chloro-2-isobutanol
EINECS 209-196-4
1-Chloro-2-methyl-2-propanol
1-chloro-2-methyl-propan-2-ol
1-chloro-2-methyl propan-2-ol
ZQ2JCG2ZDG
F8880-7485
SCHEMBL168273
2-Propanol, 1-chloro-2-methyl-
DTXSID20204381
1-Chloro-2-methylpropanol-2

MDL Number

MFCD00021807

Customs Code

2905590090

FAQ

What are the physical and chemical properties of 1-Chloro-2-methyl-2-propanol (CAS: 558-42-9)?

1-Chloro-2-methyl-2-propanol (CAS: 558-42-9) is a colorless liquid with a distinctive odor. It has a molecular weight of approximately 113.6 g/mol. The compound is moderately soluble in water and ethanol. It is reactive towards bases and can undergo substitution reactions. It is a flammable liquid with a boiling point of 80.5°C and a melting point of -80°C.

How is 1-Chloro-2-methyl-2-propanol (CAS: 558-42-9) typically synthesized?

1-Chloro-2-methyl-2-propanol (CAS: 558-42-9) is typically synthesized through the reaction of 2-methyl-2-propanol with hydrogen chloride. This process involves the use of a phase transfer catalyst to enhance the reaction efficiency. The yield is generally high, and the selectivity towards 1-chloro-2-methyl-2-propanol is good.

What industries use 1-Chloro-2-methyl-2-propanol (CAS: 558-42-9)?

1-Chloro-2-methyl-2-propanol (CAS: 558-42-9) is used in various industries including pharmaceuticals for the synthesis of active pharmaceutical ingredients, in the production of polymers for coatings and adhesives, and in the manufacturing of sensors and semiconductors as a precursor for functional materials.

What precautions should be taken when handling 1-Chloro-2-methyl-2-propanol (CAS: 558-42-9)?

When handling 1-Chloro-2-methyl-2-propanol (CAS: 558-42-9), appropriate personal protective equipment (PPE) such as safety goggles, gloves, and lab coat should be worn. The compound should be stored in a cool, dry place away from direct sunlight. In case of spills, it should be handled in a well-ventilated area and according to the Material Safety Data Sheet (MSDS) guidelines. Fume hoods should be used during handling to minimize exposure.