1-Chloro-3,3-dimethylbutan-2-one , 97% , 13547-70-1

Synonym(s):
1-Chloro-3,3-dimethyl-2-butanone

CAS NO.：13547-70-1

Empirical Formula: C6H11ClO

Molecular Weight: 134.6

MDL number: MFCD00035688

EINECS: 236-920-6

PRODUCT Properties

• Melting point: −13 °C(lit.)
• Boiling point: 170-173 °C(lit.)
• Density: 1.025 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.442(lit.)
• Flash point: 153 °F
• storage temp.: Inert atmosphere,2-8°C
• form: clear liquid
• color: Colorless to Yellow to Green
• Water Solubility: Not miscible in water.
• InChI: InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
• InChIKey: ULSAJQMHTGKPIY-UHFFFAOYSA-N
• SMILES: C(Cl)C(=O)C(C)(C)C
• CAS DataBase Reference: 13547-70-1(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butanone, 1-chloro-3,3-dimethyl-(13547-70-1)
• EPA Substance Registry System: 2-Butanone, 1-chloro-3,3-dimethyl- (13547-70-1)

Description and Uses

1-Chloropinacolone is used as an intermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H302-H311-H315-H319-H330-H335
• Precautionary statements: P260-P280-P284-P305+P351+P338-P310
• Hazard Codes: T,T+,Xi
• Risk Statements: 22-23-36/37/38-26-24
• Safety Statements: 26-36-45-38-36/37/39-28A-36/37-28
• RIDADR: UN 2810
• WGK Germany: 3
• RTECS: EL7078000
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29147000
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)