2-Bromohexanoic acid
ALDRICH/242837 - 97%
Synonym: 2-Bromocaproic acid
CAS Number: 616-05-7
Empirical Formula (Hill Notation): C6H11BrO2
Molecular Weight: 195.05
EC Number: 210-461-1
MDL Number: MFCD00004218
Linear Formula: CH3(CH2)3CHBrCOOH
Product Type: Chemical
| assay | 97% |
| bp | 136-138 °C/18 mmHg (lit.) |
| density | 1.37 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | bromo |
| carboxylic acid | |
| InChI | 1S/C6H11BrO2/c1-2-3-4-5(7 |
| InChI key | HZTPKMIMXLTOSK-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | CCCCC(Br)C(O)=O |
| solubility | alcohol: soluble(lit.) |
| diethyl ether: soluble(lit.) |
| Application: | 2-Bromohexanoic acid was used as an internal standard in the determination of trans,trans-muconic acid (t,t-MA) in urine by GC-MS method. |
| General description: | The reaction of 2-bromohexanoic acid (2-bromocaproic acid) with 6-(5,6-dipentyl-1,2,4-tri |
| Packaging: | 25 g in glass bottle |
| Symbol | ![]() GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H314 |
| Precautionary statements | P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 20/21/22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 230.0 °F - closed cup |
| Flash Point(C) | 110 °C - closed cup |
| Purity | 97% |
| bp | 136-138 °C/18 mmHg (lit.) |
| Density | 1.37 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |



