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4-Chlorobutanal dimethyl acetal

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Name

4-Chlorobutanal dimethyl acetal

EINECS 249-924-8
CAS No. 29882-07-3 Density 1.003 g/cm3
PSA 18.46000 LogP 1.62430
Solubility N/A Melting Point N/A
Formula C6H13ClO2 Boiling Point 168.3 °C at 760 mmHg
Molecular Weight 152.621 Flash Point 42.9 °C
Transport Information N/A Appearance colorless liquid
Safety 26-36 Risk Codes 22
Molecular Structure Molecular Structure of 29882-07-3 (4-Chlorobutanal dimethyl acetal) Hazard Symbols HarmfulXn
Synonyms

Butyraldehyde,4-chloro-, dimethyl acetal (8CI);1-Chloro-4,4-dimethoxybutane;4,4-Dimethoxybutyl chloride;4-Chloro-1,1-dimethoxybutane;4-Chlorobutanaldimethyl acetal;4-Chlorobutyraldehyde dimethyl acetal;

Article Data 11

4-Chlorobutanal dimethyl acetal Synthetic route

6139-84-0

4-chlorobutyraldehyde

149-73-5

trimethyl orthoformate

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With toluene-4-sulfonic acid; triethylamine In neat (no solvent) at 20℃;84%
With toluene-4-sulfonic acid In methanol
67-56-1

methanol

3153-36-4

4-chloro-butyric acid ethyl ester

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
Stage #1: 4-chloro-butyric acid ethyl ester With hydrogenchloride; diisobutylaluminium hydride In hexane; dichloromethane at -78℃; for 1h;
Stage #2: methanol With sulfuric acid for 18h;
78%
67-56-1

methanol

763101-16-2

4-chloro-1-acetoxy-1-butene

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With amberlyst-15 Heating;74%
Amberlyst 15 acidic ion-exchange resin Heating / reflux;74.4%
6139-84-0

4-chlorobutyraldehyde

77-76-9

2,2-dimethoxy-propane

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With toluene-4-sulfonic acid50%
67-56-1

methanol

6139-84-0

4-chlorobutyraldehyde

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With thio-xanthene-9-one for 1.5h; Irradiation; Sealed tube; Green chemistry;33%
With sulfuric acid for 1h; Yield given;
681-84-5

tetramethylorthosilicate

4635-59-0

4-Chlorobutanoyl chloride

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With Pd-BaSO4; hydrogen
4635-59-0

4-Chlorobutanoyl chloride

149-73-5

trimethyl orthoformate

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With Pd-BaSO4; hydrogen
67-56-1

methanol

1489-69-6

Cyclopropanecarboxaldehyde

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With hydrogenchloride
67-56-1

methanol

4635-59-0

4-Chlorobutanoyl chloride

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With Pd-BaSO4; sulfuric acid; nitrogen; hydrogen 1.) toluene, reflux, 6 h, 2.) room temperature, 0.5 h; Yield given. Multistep reaction;
681-84-5

tetramethylorthosilicate

4-chloro-butyryl bromide

4-chloro-butyryl bromide

29882-07-3

4-chlorobutanal dimethyl acetal

Conditions
ConditionsYield
With Pd-BaSO4; hydrogen

4-Chlorobutanal dimethyl acetal Specification

The IUPAC name of 4-Chlorobutanal dimethyl acetal is 4-chloro-1,1-dimethoxybutane. With the CAS registry number 29882-07-3, it is also named as Butane,4-chloro-1,1-dimethoxy-. The product's categories are All Aliphatics; Aliphatics. Besides, it is colorless liquid, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that workplaces have good ventilation or exhaust device. In addition, its molecular formula is C6H13ClO2 and molecular weight is 152.62.

The other characteristics of 4-Chlorobutanal dimethyl acetal can be summarized as: (1)EINECS: 249-924-8; (2)ACD/LogP: 1.10; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.1; (5)ACD/LogD (pH 7.4): 1.1; (6)ACD/BCF (pH 5.5): 4.05; (7)ACD/BCF (pH 7.4): 4.05; (8)ACD/KOC (pH 5.5): 94.75; (9)ACD/KOC (pH 7.4): 94.75; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 5; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 38.14 cm3; (15)Molar Volume: 152 cm3; (16)Surface Tension: 26.8 dyne/cm; (17)Density: 1.003 g/cm3; (18)Flash Point: 42.9 °C; (19)Enthalpy of Vaporization: 38.81 kJ/mol; (20)Boiling Point: 168.3 °C at 760 mmHg; (21)Vapour Pressure: 2.15 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCCCC(OC)OC
(2)InChI:InChI=1/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3
(3)InChIKey:LTLKJYMNUSSFAH-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3
(5)Std. InChIKey:LTLKJYMNUSSFAH-UHFFFAOYSA-N

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