ChemicalBook--->CAS DataBase List--->1111-97-3

1111-97-3

1111-97-3 Structure

1111-97-3 Structure
IdentificationMore
[Name]

3-CHLORO-3-METHYL-1-BUTYNE
[CAS]

1111-97-3
[Synonyms]

3-CHLORO-3-METHYL-1-BUTYNE
3-CHLORO-3-METHYLBUT-1-YNE
3-CHLORO-3-METHYLBUTYNE
3-chloro-3-methyl-1-butyn
2-Chloro-2-methyl-3-butyne
3-Methyl-3-chloro-1-butyne
[EINECS(EC#)]

214-188-9
[Molecular Formula]

C5H7Cl
[MDL Number]

MFCD00190221
[Molecular Weight]

102.56
[MOL File]

1111-97-3.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to straw colored liquid
[Melting point ]

-61 °C (lit.)
[Boiling point ]

73-75 °C (lit.)
[density ]

0.913 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

40 °F
[storage temp. ]

Refrigerator (+4°C)
[form ]

Liquid
[color ]

Clear colorless to straw
[Specific Gravity]

0.91
[InChIKey]

QSILYWCNPOLKPN-UHFFFAOYSA-N
[CAS DataBase Reference]

1111-97-3(CAS DataBase Reference)
[EPA Substance Registry System]

1-Butyne, 3-chloro-3-methyl- (1111-97-3)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,Xi
[Risk Statements ]

R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29032990
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to straw colored liquid
[Uses]

3-Chloro-3-methyl-1-butyne was used in preparation of:
  • series of benzo[b]pyrano[2,3-i]xanthen-6-ones and benzo[b]pyrano[3,2-h]xanthen-7-ones
  • 6-hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one
  • 5-hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
  • 3,3-dimethyl-3Hbenzofuro[3,2-f][1]-benzopyran
[Uses]

3-Chloro-3-methyl-1-butyne is a propargyl chloride used to alkylate methanol, ethanol, ammonia and amines to the corresponding propargylic ether and amines.
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLORO-3-METHYL-1-BUTYNE(1111-97-3)1HNMR
3-CHLORO-3-METHYL-1-BUTYNE(1111-97-3)FT-IR
3-CHLORO-3-METHYL-1-BUTYNE(1111-97-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chloro-3-methyl-1-butyne, 96%(1111-97-3)
[Alfa Aesar]

3-Chloro-3-methyl-1-butyne, 97%(1111-97-3)
[Sigma Aldrich]

1111-97-3(sigmaaldrich)
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