Basic information
- Name:
1-Bromo-4-chlorobutane
- CAS No.:
6940-78-9
- Molecular Structure:
- Formula:
- C4H8BrCl
- Molecular Weight:
- 171.46 .
- 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
- 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 Description:
- 23-24/25-37/39-26 Details
- Transport Information:
- UN 1993 3/PG 3
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Chemistry
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 Profile
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
Specification
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- .
