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| CAS No.: | 17462-58-7 |
|---|---|
| Name: | sec-Butyl chloroformate |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C5H9ClO2 |
| Molecular Weight: | 136.578 |
| Synonyms: | Formicacid, chloro-, sec-butyl ester (6CI,8CI);But-2-yl chloroformate;Chloroformicacid sec-butyl ester; |
| EINECS: | 241-475-6 |
| Density: | 1.081 g/cm3 |
| Melting Point: | -70oC |
| Boiling Point: | 134.044 °C at 760 mmHg |
| Flash Point: | 35.842 °C |
| Solubility: | Insoluble in water |
| Appearance: | colorless liquid |
| Transport Information: | UN 2742 |
| PSA: | 26.30000 |
| LogP: | 2.16030 |
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Chemistry
Molecule structure of sec-Butyl chloroformate (CAS NO.17462-58-7):
IUPAC Name: Butan-2-yl carbonochloridate
Molecular Weight: 136.57676 [g/mol]
Molecular Formula: C5H9ClO2
Index of Refraction: 1.417
Molar Refractivity: 31.796 cm3
Molar Volume: 126.313 cm3
Surface Tension: 28.416 dyne/cm
Density: 1.081 g/cm3
Flash Point: 35.842 °C
Enthalpy of Vaporization: 37.152 kJ/mol
Boiling Point: 134.044 °C at 760 mmHg
Vapour Pressure: 8.236 mmHg at 25 °C
XLogP3: 2.8
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 136.029107
MonoIsotopic Mass: 136.029107
Topological Polar Surface Area: 26.3
Heavy Atom Count: 8
Canonical SMILES: CCC(C)OC(=O)Cl
InChI: InChI=1S/C5H9ClO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3
InChIKey: YSMHTFWPDRJCMN-UHFFFAOYSA-N
EINECS: 241-475-6
Uses
sec-Butyl chloroformate (CAS NO.17462-58-7) is used to make other chemicals.
Safety Profile
RIDADR: UN 2742
HazardClass: 6.1(a)
PackingGroup: II
Specification
sec-Butyl chloroformate (CAS NO.17462-58-7) is also named as Carbonochloridic acid, 1-methylpropyl ester ; sec-Butyl chlorocarbonate . sec-Butyl chloroformate (CAS NO.17462-58-7) is a colorless liquid. It is insoluble in water. Contact it may severely irritate skin, eyes, and mucous membranes. It is very toxic by ingestion, inhalation and skin absorption. It reacts exothermically with moisture in air to generate fumes of hydrochloric acid. sec-Butyl chloroformate (CAS NO.17462-58-7) attacks many metals, especially in humid atmosphere. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. It will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.