Isobutyl chloroformate
ALDRICH/177989 - 98%
Synonym: Chloroformic acid isobutyl ester; IBCF
CAS Number: 543-27-1
Empirical Formula (Hill Notation): C5H9ClO2
Molecular Weight: 136.58
EC Number: 208-840-1
MDL Number: MFCD00000642
Linear Formula: ClCO2CH2CH(CH3)2
Product Type: Chemical
| assay | 98% |
| bp | 128.8 °C (lit.) |
| density | 1.053 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C5H9ClO2/c1-4(2)3-8-5( |
| InChI key | YOETUEMZNOLGDB-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CC(C)COC(Cl)=O |
| solubility | benzene: miscible |
| chloroform: miscible | |
| diethyl ether: miscible | |
| vapor pressure | 0.33 mmHg ( 20 °C) |
| Application: | • Preparation of a volatile derivative of taurine and application to gas chromatographic determination of urinary taurine.: Demonstrates the utility of isobutyl chloroformate in preparing volatile derivatives of taurine for gas chromatographic analysis, offering a methodological advancement in clinical biochemistry (Masuoka et al., 1989  ).• Quinazoline antifolates inhibiting thymidylate synthase: synthesis of four oligo(L-gamma-glutamyl) conjugates of N10-propargyl-5,8-dideaza ).• Coupling of peptides to protein carriers by mixed anhydride procedure.: Discusses a novel technique using isobutyl chloroformate for peptide coupling to proteins, useful in bioconjugate chemistry and vaccine development (Samokhin & Filimonov, 1985 ).• Folate analogues altered in the C9-N10 bridge region. 18. Synthesis and antitumor evaluation of 11-oxahomoaminopterin and related compounds.: Investigates the role of isobutyl chloroformate in synthesizing folate analogues for cancer research, showing its importance in therapeutic chemistry (Nair et al., 1981 ). |
| General description: | Isobutyl chloroformate is used as a peptide reagent. In oligonucleotide synthesis, IBCF blocks the 5′-hydroxyl function of deoxyribosides. It also serves as condensing reagent. |
| Packaging: | 25, 100 g in Sure/Seal™ |
| Symbol |    GHS02,GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H314 - H331 |
| Precautionary statements | P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338 |
| Hazard Codes | T |
| Risk Statements | 10-22-23-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN3489 - class 6.1 - PG 1 - acidic - Toxic by inhalation liquid, |
| WGK Germany | WGK 2 |
| Flash Point(F) | 96.8 °F - closed cup |
| Flash Point(C) | 36 °C - closed cup |
| Purity | 98% |
| bp | 128.8 °C (lit.) |
| Density | 1.053 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |