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| CAS No.: | 107-81-3 |
|---|---|
| Name: | 2-Bromopentane |
| Article Data: | 63 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11Br |
| Molecular Weight: | 151.046 |
| Synonyms: | 2-Pentyl bromide;BRN 1718829;NSC7896;Pentane, 2-bromo-; |
| EINECS: | 203-521-3 |
| Density: | 1.211 g/cm3 |
| Melting Point: | -95 °C |
| Boiling Point: | 118.3 °C at 760 mmHg |
| Flash Point: | 20.6 °C |
| Solubility: | practically insoluble in water |
| Appearance: | clear to yellow liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 2343 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.56990 |
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| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; bromine at 36℃; for 1h; | A 79% B 20% |
| With hydrogen bromide; dihydrogen peroxide In water at 20℃; for 6h; Irradiation; | |
| With manganese(IV) oxide; bromine at 36℃; for 1h; Inert atmosphere; Overall yield = 47 %; Overall yield = 0.7 g; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; phosphorus tribromide at 80℃; for 0.666667h; | A 66% B 8% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; phosphorus tribromide at 55℃; for 0.666667h; | A 52% B 13% |
| With hydrogen bromide; phosphorus tribromide at 55℃; | A 52% B 13% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide | |
| With phosphorus tribromide | |
| With hydrogen bromide at -10℃; und nachfolgenden Erwaermen des Reaktionsgemisches auf 60grad; optically inactive 2-bromo-pentane; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide | |
| With phosphorus tribromide |
| Conditions | Yield |
|---|---|
| With hydrogen bromide | |
| With phosphorus tribromide |
| Conditions | Yield |
|---|---|
| With water; hydrogen bromide at 16 - 20℃; | |
| With peroxidene; hydrogen bromide bzw.in Gegenwart von Inhibitoren wie Thiokresol,Diphenylamin oder Hydrochinon; | |
| With HFeBr4 In tetrachloromethane at 4℃; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 25℃; optically inactive 2-bromo-pentane; |
| Conditions | Yield |
|---|---|
| With sodium bromide; diethylene glycol |
| Conditions | Yield |
|---|---|
| at 230℃; |
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Chemistry
Product Name: 2-Bromopentane (CAS NO.107-81-3)
Molecular Formula: C5H11Br
Molecular Weight: 151.04 g/mol
Boiling point: 118.3 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 20.6 °C
Density: 1.211 g/cm3
Acidity: Stable. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
Water Solubility: practically insoluble
Index of Refraction: 1.44
Molar Refractivity: 32.9 cm3
Molar Volume: 124.6 cm3
Surface Tension: 25.6 dyne/cm
Enthalpy of Vaporization: 34.18 kJ/mol
Vapour Pressure: 20 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 2-Bromopentane (CAS NO.107-81-3):
IUPAC Name: 2-bromopentane
Canonical SMILES: CCCC(C)Br
InChI: InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey: LGAJYTCRJPCZRJ-UHFFFAOYSA-N
Uses
2-Bromopentane (CAS NO.107-81-3) is mainly used as an intermediate for drug synthesis.
Toxicity Data With Reference
| 1. | ihl-rat TCLo:90 mg/m3/4H/17W-I | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 25 (5)(1981),51. | ||
| 2. | ihl-mus LC50:33 g/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 25 (5)(1981),51. | ||
| 3. | ihl-mus TCLo:90 mg/m3/4H/17W-I | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 25 (5)(1981),51. | ||
| 4. | ipr-mus LD50:150 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-Bromopentane (CAS NO.107-81-3):
Hazard Codes: F
,Xi
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39
S16:Keep away from sources of ignition.
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.
RIDADR: UN 2343 3/PG 2
WGK Germany: 3
RTECS: RZ9800000
HazardClass: 3
PackingGroup: II
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
2-Bromopentane , its CAS NO. is 107-81-3, the synonyms are 2-Pentyl bromide ; Pentane, 2-bromo- .