3-Chloro-2,2-dimethyl-1-propanol

Basic Information

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CAS Number

13401-56-4

Molecular Formula

C5H11ClO

Molecular Weight

122.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

34-36 °C

Boiling Point

87 °C/35 mmHg

Refractive Index

n20/D 1.45(lit.)

Vapor Pressure

0.7±0.6 mmHg at 25°C

SMILES

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CC(C)(CO)CCl

InChI

InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3

InChIKey

CAZPRAORHCOIHC-UHFFFAOYSA-N

LogP

1.2437

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

Synonyms & References

English

5FQ825URV5
SCHEMBL1032366
UNII-5FQ825URV5
3-Chloro-2,2-dimethyl-1-propanol
1-Propanol, 3-chloro-2,2-dimethyl-
FT-0636886
DTXSID5065433
CHEMBL2260958
NSC-245179
D84357
InChI=1/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
AKOS009158800
EINECS 236-488-9
13401-56-4
SY051619
2,2-dimethyl-3-chloropropanol
BCP22236
NSC245179
J-006467
AMY42053
NS00024320
MFCD00004684
CAZPRAORHCOIHC-UHFFFAOYSA-
3-Chloro-2,2-dimethylpropan-1-ol
3-Chloro-2,2-dimethyl-1-propanol, 99%
EN300-51514
3-chloro-2,2-dimethylpropanol
NSC 245179
AS-60845
CS-W011189
2-Chloromethyl-2-methyl-1-propanol

MDL Number

MFCD00004684

Customs Code

2905590090

FAQ

What is 3-Chloro-2,2-dimethyl-1-propanol (CAS: 13401-56-4)?

3-Chloro-2,2-dimethyl-1-propanol is an organic compound with the CAS number 13401-56-4. It has the chemical formula C6H11Cl and is a clear, colorless liquid with a chloroform-like odor. This compound is used in various applications including pharmaceuticals, agrochemicals, and as a chemical intermediate.

What are the main uses of 3-Chloro-2,2-dimethyl-1-propanol (CAS: 13401-56-4)?

3-Chloro-2,2-dimethyl-1-propanol is primarily used as a chemical intermediate in the synthesis of other compounds. It is employed in pharmaceuticals for the production of certain drugs, and in agrochemicals for pest control products. Additionally, it serves as a reagent in organic synthesis and analytical chemistry.

Is 3-Chloro-2,2-dimethyl-1-propanol (CAS: 13401-56-4) safe?

3-Chloro-2,2-dimethyl-1-propanol is generally considered safe under normal handling conditions when appropriate precautions are taken. It is important to avoid contact with skin and eyes, and to handle it in a well-ventilated area. Protective equipment such as gloves and safety goggles should be worn. In case of spillage, it should be absorbed using a suitable material and disposed of according to local regulations.

How should 3-Chloro-2,2-dimethyl-1-propanol (CAS: 13401-56-4) be stored?

3-Chloro-2,2-dimethyl-1-propanol should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage area should have adequate ventilation to dissipate any potential vapors. It is important to store it in a well-ventilated storage cabinet or a designated chemical storage room.