2-Methyl-2-propanyl (2-chloroethyl)carbamate

Basic Information

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CAS Number

71999-74-1

Molecular Formula

C7H14ClNO2

Molecular Weight

179.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

Oil°

Boiling Point

75 ºC (8 Torr)

Density

1.070±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

103.1±22.6 ºC,

SMILES

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CC(C)(C)OC(=O)NCCCl

InChI

InChI=1S/C7H14ClNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)

InChIKey

VACLTXTYDFLHJW-UHFFFAOYSA-N

LogP

1.7498999999999998

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

131

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

t-butyl 2-chloroethylcarbamate
CS-W004916
1-Boc-2-chloroethylamine
Tert-butyl N-(2-chloroethyl)carbamate
DTXSID00396531
VACLTXTYDFLHJW-UHFFFAOYSA-N
71999-74-1
FT-0664012
AKOS005073036
BP-30048
HD-0717
SCHEMBL1531287
N-t-butoxycarbonyl-2-chloroethylamine
doi:10.14272/VACLTXTYDFLHJW-UHFFFAOYSA-N.1
SY046693
2-(N-Boc amino)ethyl chloride
AM20100683
tert-butyl 2-chloroethylcarbamate
2-(Boc-amino)ethyl Chloride
t-butyl (2-chloroethyl)carbamate
J-524353
tert-Butyl (2-chloroethyl)carbamate
(2-Chloro-ethyl)-carbamic acid tert-butyl ester
MFCD04004074
N-Boc-2-chloroethylamine
N-t-butoxycarbonyl-2-chloro-ethylamine
F10511
EN300-113923
tert-Butyl (2-Chloroethyl)carbamate
C7H14ClNO2
Carbamic acid,N-(2-chloroethyl)-, 1,1-dimethylethyl ester

MDL Number

MFCD04004074

Customs Code

2924199090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1)?

2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1) is a colorless to light yellow liquid with a molecular weight of approximately 173.6 g/mol. It has a low boiling point of around 80°C and is moderately soluble in water. The compound is known for its reactive nature, particularly towards nucleophiles, and is prone to hydrolysis in aqueous solutions.

How is 2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1) typically synthesized?

2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1) is typically synthesized through the reaction of 2-methyl-2-propanol with thionyl chloride followed by reaction with urea. Common catalysts and reagents include thionyl chloride and urea, with high selectivity and yield under mild conditions.

What industries use 2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1)?

2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1) is primarily used in pharmaceuticals for the synthesis of various drugs, as a building block in polymer chemistry for developing new materials, and in sensor technology for specific chemical detection applications. It also finds use in semiconductor manufacturing processes.

What precautions should be taken when handling 2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1)?

When handling 2-Methyl-2-propanyl (2-chloroethyl)carbamate (CAS: 71999-74-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.