1111-97-3
3-chloro-3-methyl-1-butyne
CAS: 1111-97-3
Molecular Formula: C5H7Cl
1111-97-3 - Names and Identifiers
| Name | 3-chloro-3-methyl-1-butyne |
| Synonyms | 3-chloro-3-methyl-1-butyne 2-Chloro-2-methyl-3-butyne 3-Chloro-3-Methyl-1-butyne 3-Methyl-3-chloro-1-butyne 3-Chloro-3-methyl-1-butyne |
| CAS | 1111-97-3 |
| EINECS | 214-188-9 |
| InChI | InChI=1/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3 |
1111-97-3 - Physico-chemical Properties
| Molecular Formula | C5H7Cl |
| Molar Mass | 102.562 |
| Density | 0.965g/cm3 |
| Melting Point | -61 °C (lit.) |
| Boling Point | 78°C at 760 mmHg |
| Flash Point | 4.4°C |
| Vapor Presure | 104mmHg at 25°C |
| Refractive Index | 1.437 |
| Use | Use 3-chloro-3-methyl-1-butyne, molecular formula is C5H7Cl, English name 3-chloro-3-methyl-1-butyne. 3-chloro-3-methylbutyne is a colorless and transparent oily liquid, has a pungent odor, volatile, is an important chemical organic intermediates, can be used for pesticides, fungicides, herbicides and other chemical fields. |
1111-97-3 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1993 3/PG 2 |
1111-97-3 - Upstream Downstream Industry
1111-97-3 - Nature
| storage conditions | 2-8°C |
| morphology | Liquid |
| color | Clear colorless to straw |
| Specific gravity | 0.91 |
| InChIKey | QSILYWCNPOLKPN-UHFFFAOYSA-N |
| EPA chemical information | 1-Butyne, 3-chloro-3-methyl- (1111-97-3) |
Last Update：2024-04-10 22:29:15
1111-97-3 - Preparation
1000kg 3-methylbutyne -3-alcohol is put into 275 kg of 36% hydrochloric acid (chlorination kettle), 10kg of cuprous chloride is added, then 1200 kg of isophthalic acid and 1440 kg of trichloromethyl benzene are put into the acylation kettle and heated to 70-85 ℃, 1.5kg of ferric chloride is put into it, 1440 kg of trichloromethyl benzene is added dropwise after. During the period, the refrigerant setting temperature is -20 ℃, the hydrochloric acid in the hydrochloric acid washing tower is purchased concentrated hydrochloric acid with a concentration of 30%, and the washing liquid temperature during the washing process is 40~45 ℃. The purity of benzoic acid recovered from hydrochloric acid washing solution is 97.32%, and the purity of 3-chloro-3-methylbutyne finally obtained is 94.57%, and the yield is 96.28%.
Last Update：2024-04-10 22:29:15
1111-97-3 - Security information
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | II |
| customs code | 29032990 |
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for 1111-97-3
1,2-Butadiene, 1-chloro-3-methyl-
2-Chloro-3-methyl-1-butene
2,2-dichloro-3-methylbutane
2-chloro-3-methyl-1,3-butadiene
Hydrochloric acid
3-METHYL-1-BUTYNE
2-Chloro-3-methyl-1-butene
2,2-dichloro-3-methylbutane
2-chloro-3-methyl-1,3-butadiene
Hydrochloric acid
3-METHYL-1-BUTYNE