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4224-70-8

Basic Information
CAS No.: 4224-70-8
Name: 6-Bromohexanoic acid
Article Data: 48
Molecular Structure:
Molecular Structure of 4224-70-8 (6-Bromohexanoic acid)
Formula: C6H11BrO2
Molecular Weight: 195.056
Synonyms: 6-Bromocaproicacid;w-Bromohexanoic acid;
EINECS: 224-176-5
Density: 1.44 g/cm3
Melting Point: 32-34 °C(lit.)
Boiling Point: 279.2 °C at 760 mmHg
Flash Point: 119.1 °C
Solubility: methanol: 0.1 g/mL, clear, colorless
Appearance: white to light orange low melting crystals
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45-28
Transport Information: UN 3261 8/PG 2
PSA: 37.30000
LogP: 2.02630
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    6-Bromohexanoic acid

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    6-Bromohexanoic acid

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    6-Bromohexanoic acid

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    6-Bromohexanoic Acid

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Chemistry

IUPAC Name: 6-Bromohexanoic acid 
Following is the structure of Hexanoic acid, 6-bromo- (CAS NO.4224-70-8):
                      
Empirical Formula: C6H11BrO2
Molecular Weight: 195.0543 
EINECS: 224-176-5
Index of Refraction: 1.49
Molar Refractivity: 39.14 cm3
Molar Volume: 135.3 cm3
Density: 1.44 g/cm3
Flash Point: 119.1 °C 
Storage temp.: 2-8 °C
Melting point: 32-34 °C(lit.)
Surface Tension: 42 dyne/cm 
Enthalpy of Vaporization: 56.98 kJ/mol
Boiling Point: 279.2 °C at 760 mmHg
Vapour Pressure: 0.00109 mmHg at 25 °C
Appearance: White to light orange low melting crystals
Solubility methanol of Hexanoic acid, 6-bromo- (CAS NO.4224-70-8): 0.1 g/mL, clear, colorless
Product Categories: Organic acids; Acids & Esters; Bromine Compounds; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides
Canonical SMILES: C(CCC(=O)O)CCBr
InChI: InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKey: NVRVNSHHLPQGCU-UHFFFAOYSA-N

Toxicity Data With Reference

 Hexanoic acid, 6-bromo- (CAS NO.4224-70-8) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-36/37/39-45-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 8
Hazard Note: Corrosive/Harmful
HazardClass: 8
PackingGroup: III
HS Code: 29159080

Specification

 Hexanoic acid, 6-bromo- , its cas register number 4224-70-8. It also can be called 6-Bromohexanoic acid .
 Hexanoic acid, 6-bromo- (CAS NO.4224-70-8) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: Carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization has not been reported.