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CAS No.: | 6940-78-9 |
---|---|
Name: | 1-Bromo-4-chlorobutane |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C4H8BrCl |
Molecular Weight: | 171.465 |
Synonyms: | 1-Chloro-4-bromobutane;4-Bromo-1-chlorobutane;4-Bromobutyl chloride;4-Chloro-1-bromobutane;4-Chlorobutyl bromide;NSC 60193;Tetramethylenechlorobromide; |
EINECS: | 230-089-3 |
Density: | 1.439 g/cm3 |
Melting Point: | 96-97 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6)) |
Boiling Point: | 164.3 °C at 760 mmHg |
Flash Point: | 60 °C |
Solubility: | slightly soluble in water |
Appearance: | clear liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25-37/39-26 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.40030 |
Conditions | Yield |
---|---|
With phosphorus tribromide In pyridine 0 deg C, 1 h; r.t., 3 h; | 44% |
With phosphorus; bromine | |
With sulfuric acid; water; sodium bromide |
Conditions | Yield |
---|---|
Stage #1: benzyloxyacetic acid With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -70 - -30℃; for 1h; Stage #2: 1.3-chlorobromopropane In tetrahydrofuran; hexane at -70 - 20℃; for 2.5h; | 32% |
Conditions | Yield |
---|---|
With water; sodium bromide; sodium chloride anschliessenden Erwaermen des Reaktionsprodukts mit Schwefelsaeure; |
Conditions | Yield |
---|---|
With chlorine im Licht; | |
With sulfuryl dichloride; dibenzoyl peroxide |
Conditions | Yield |
---|---|
With sulfuric acid; water; hydrogen bromide at 150℃; |
Conditions | Yield |
---|---|
With 1,4-dibromo-butane; tetrabutylammomium bromide at 100℃; for 19.5h; | 49.7 % Chromat. |
Conditions | Yield |
---|---|
unter Belichtung; |
1-bromo-butane
sulfuryl dichloride
dibenzoyl peroxide
4-chlorobutyl bromide
n-Butyl chloride
A
4-chlorobutyl bromide
B
1-bromo-1-chlorobutane
C
2-bromo-4-chloro-butane
D
2-bromo-1-chlorobutane
Conditions | Yield |
---|---|
With carbon tetrabromide; {[PhSiO1.5]2CuO}n at 150℃; for 10h; Product distribution; Further Variations:; Catalysts; |
1-bromo-butane
A
4-chlorobutyl bromide
B
1-bromo-3-chlorobutane
C
1-bromo-2-chlorobutane
Conditions | Yield |
---|---|
With perchloric acid; 1-chloro-cis-2,6-dimethylpiperidine In dichloromethane; water at 0℃; for 2h; Irradiation; Sealed tube; Inert atmosphere; Overall yield = 53 percent; |
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Product Name: 1-Bromo-4-chlorobutane (CAS NO.6940-78-9)
Molecular Formula: C4H8BrCl
Molecular Weight: 171.46g/mol
Mol File: 6940-78-9.mol
EINECS: 230-089-3
Appearance: clear liquid
Boiling point: 164.3 °C at 760 mmHg
Flash Point: 60 °C
Density: 1.439 g/cm3
Refractive index: n20/D 1.4875(lit.)
Water Solubility: SLIGHTLY SOLUBLE
Index of Refraction: 1.468
Molar Refractivity: 33.16 cm3
Molar Volume: 119.1 cm3
Surface Tension: 31.3 dyne/cm
Enthalpy of Vaporization: 38.44 kJ/mol
Vapour Pressure: 2.59 mmHg at 25°CXLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 1-Bromo-4-chlorobutane (CAS NO.6940-78-9):
IUPAC Name: 1-bromo-4-chlorobutane
Canonical SMILES: C(CCBr)CCl
InChI: InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
InChIKey: NIDSRGCVYOEDFW-UHFFFAOYSA-N
Product Categories: Drug Intermediates; BROMO CHLORO; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Haloalkyl Chlorides
Safety Information of 1-Bromo-4-chlorobutane (CAS NO.6940-78-9):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-37/39-26
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III
HS Code: 29034980
1-Bromo-4-chlorobutane , its CAS NO. is 6940-78-9, the synonyms are 1-Chloro-4-bromobutane ; 4-Bromo-1-chlorobutane ; Tetramethylene chlorobromide ; Butane, 1-bromo-4-chloro- .