3-CHLORO-3-METHYL-1-BUTYNE
- Product Name
- 3-CHLORO-3-METHYL-1-BUTYNE
- CAS No.
- 1111-97-3
- Chemical Name
- 3-CHLORO-3-METHYL-1-BUTYNE
- Synonyms
- 3-CHLORO-3-METHYLBUT-1-YNE;3-CHLORO-3-METHYLBUTYNE;3-chloro-3-methyl-1-butyn;3-CHLORO-3-METHYL-1-BUTYNE;3-Methyl-3-chloro-1-butyne;2-Chloro-2-methyl-3-butyne;1-Butyne, 3-chloro-3-methyl-;3-Chloro-3-methyl-1-butyne,96%;3-Chloro-3-methyl-1-butyne, 98%;3-Chloro-3-methyl-1-butyne, 95%,
- CBNumber
- CB0485757
- Molecular Formula
- C5H7Cl
- Formula Weight
- 102.56
- MOL File
- 1111-97-3.mol
3-CHLORO-3-METHYL-1-BUTYNE Property
- 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.)
- Flash point:
- 40 °F
- storage temp.
- 2-8°C
- solubility
- Chloroform, Hexane (Slightly)
- form
- Liquid
- color
- Clear colorless to straw
- Specific Gravity
- 0.91
- InChI
- InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
- InChIKey
- QSILYWCNPOLKPN-UHFFFAOYSA-N
- SMILES
- C#CC(Cl)(C)C
- CAS DataBase Reference
- 1111-97-3(CAS DataBase Reference)
- EPA Substance Registry System
- 1-Butyne, 3-chloro-3-methyl- (1111-97-3)
Safety
- Hazard Codes
- F,Xn,Xi
- Risk Statements
- 11-20/21/22
- Safety Statements
- 16-26-36
- RIDADR
- UN 1993 3/PG 2
- WGK Germany
- 3
- TSCA
- Yes
- HazardClass
- 3
- PackingGroup
- II
- HS Code
- 29032990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H225Highly Flammable liquid and vapour
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
N-Bromosuccinimide Price
- Product number
- 301345
- Product name
- 3-Chloro-3-methyl-1-butyne
- Purity
- 97%
- Packaging
- 5g
- Price
- $128.06
- Updated
- 2025/07/31
- Product number
- 301345
- Product name
- 3-Chloro-3-methyl-1-butyne
- Purity
- 97%
- Packaging
- 25g
- Price
- $359.14
- Updated
- 2025/07/31
- Product number
- C369090
- Product name
- 3-Chloro-3-methyl-1-butyne
- Packaging
- 100g
- Price
- $375
- Updated
- 2021/12/16
- Product number
- 80461
- Product name
- 3-CHLORO-3-METHYL-1BUTYNE
- Packaging
- 10g
- Price
- $210.5
- Updated
- 2021/12/16
- Product number
- AS23502
- Product name
- 3-Chloro-3-methyl-1-butyne
- Purity
- 97+%
- Packaging
- 25g
- Price
- $249
- Updated
- 2021/12/16
3-CHLORO-3-METHYL-1-BUTYNE Chemical Properties,Usage,Production
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.
Synthesis
115-19-5
1111-97-3
The process is shown in Figure 1. First, the chlorination reactor was turned on and a reflux condensing unit was installed. The reaction vessel was cooled to 10 °C, followed by the sequential addition of concentrated hydrochloric acid, zinc chloride and polyethylene glycol 600. 2-methyl-3-butyn-2-ol was mixed with sulphuric acid and slowly added dropwise to the reaction vessel when the reactor temperature dropped to 0 °C. The reaction temperature was maintained at 0 °C for 2 hours. After the dropwise addition was completed, the reaction temperature was maintained between 0 and 5°C for 2 hours. Upon completion of the reaction, the mixture was transferred to a washing kettle for washing. This was followed by stirring and standing for layering. After separation of the aqueous layer, the organic layer was transferred to the extraction kettle. After filtration and drying, 3-chloro-3-methyl-1-butyne was obtained (95% yield, 99% purity).
References
[1] Patent: CN107903181, 2018, A. Location in patent: Paragraph 0007-0008; 0036-0040; 0054; 0058
[2] Chemistry - A European Journal, 2005, vol. 11, # 1, p. 308 - 320
[3] Chemical Communications, 2013, vol. 49, # 39, p. 4346 - 4348
[4] Journal of Labelled Compounds and Radiopharmaceuticals, 1996, vol. 38, # 12, p. 1077 - 1081
[5] European Journal of Organic Chemistry, 2014, vol. 2014, # 36, p. 8029 - 8034
3-CHLORO-3-METHYL-1-BUTYNE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-CHLORO-3-METHYL-1-BUTYNE manufacturers
- Product
- 3-CHLORO-3-METHYL-1-BUTYNE 1111-97-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10000KGS
- Release date
- 2025-02-18
- Product
- 3-CHLORO-3-METHYL-1-BUTYNE 1111-97-3
- Price
- US $0.10/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10
- Release date
- 2024-07-14
- Product
- 3-CHLORO-3-METHYL-1-BUTYNE 1111-97-3
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11