Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xn | |
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-chlorobutyraldehyde
trimethyl orthoformate
4-chlorobutanal dimethyl acetal
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; triethylamine In neat (no solvent) at 20℃; | 84% |
With toluene-4-sulfonic acid In methanol |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With amberlyst-15 Heating; | 74% |
Amberlyst 15 acidic ion-exchange resin Heating / reflux; | 74.4% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid | 50% |
Conditions | Yield |
---|---|
With thio-xanthene-9-one for 1.5h; Irradiation; Sealed tube; Green chemistry; | 33% |
With sulfuric acid for 1h; Yield given; |
tetramethylorthosilicate
4-Chlorobutanoyl chloride
4-chlorobutanal dimethyl acetal
Conditions | Yield |
---|---|
With Pd-BaSO4; hydrogen |
4-Chlorobutanoyl chloride
trimethyl orthoformate
4-chlorobutanal dimethyl acetal
Conditions | Yield |
---|---|
With Pd-BaSO4; hydrogen |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With Pd-BaSO4; sulfuric acid; nitrogen; hydrogen 1.) toluene, reflux, 6 h, 2.) room temperature, 0.5 h; Yield given. Multistep reaction; |
tetramethylorthosilicate
4-chlorobutanal dimethyl acetal
Conditions | Yield |
---|---|
With Pd-BaSO4; hydrogen |
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