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| CAS No.: | 4261-68-1 |
|---|---|
| Name: | 2-Diisopropylaminoethyl chloride hydrochloride |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H18ClN.HCl |
| Molecular Weight: | 200.152 |
| Synonyms: | 2-Propanamine,N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (9CI);Triethylamine,2''-chloro-1,1'-dimethyl-, hydrochloride (7CI,8CI);(b-Chloroethyl)diisopropylaminehydrochloride;2-(Diisopropylamino)ethyl chloride hydrochloride;2-(N,N-Diisopropylamino)ethyl chloride hydrochloride;2-Chloro-N,N-bis(isopropyl)ethanamine hydrochloride;2-Chloroethyldiisopropylamine hydrochloride;N-(2-Chloroethyl)-N-isopropylpropan-2-amine hydrochloride;N-(2-Chloroethyl)diisopropylamine hydrochloride; |
| EINECS: | 224-238-1 |
| Density: | 0.909g/cm3 |
| Melting Point: | 129-132 °C(lit.) |
| Boiling Point: | 152.7 °C at 760 mmHg |
| Flash Point: | 46.1 °C |
| Solubility: | Soluble in water |
| Appearance: | white to yellow crystalline powder |
| Hazard Symbols: |
 T,  C,  T+
|
| Risk Codes: | 23/24/25-34-36/37/38-26-24/25 |
| Safety: | 26-36/37/39-45-38-28A |
| Transport Information: | UN 2811 6.1/PG 1 |
| PSA: | 3.24000 |
| LogP: | 3.14600 |
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- 108-18-9
diisopropylamine
- 107-07-3
2-chloro-ethanol
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: diisopropylamine; 2-chloro-ethanol for 5h; Reflux; Stage #2: With thionyl chloride at 20℃; for 12h; | 38% |
| Conditions | Yield |
|---|---|
| With thionyl chloride; chloroform | |
| With thionyl chloride; benzene | |
| With thionyl chloride Chlorination; Vogel method; | |
| With thionyl chloride In chloroform Reflux; Cooling with ice; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 200 °C 2: benzene; SOCl2 View Scheme |
B
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
B
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
| Conditions | Yield |
|---|---|
| In ethanol for 48h; Reflux; | 99% |
| With sodium carbonate In acetonitrile for 24h; Reflux; | 97% |
| In ethanol for 12h; Heating; | 95% |
| In ethanol for 48h; Reflux; | 89% |
| With sodium carbonate In acetonitrile for 24h; Inert atmosphere; Reflux; | 87% |
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
- 57260-71-6
1-t-Butoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With potassium carbonate In water; acetone at 20℃; for 4h; | 99% |
- 187407-15-4
2,6-dibromo-4-iodophenol
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
- 913171-94-5
[2-(2,6-dibromo-4-iodo-phenoxy)-ethyl]-diisopropyl-amine
| Conditions | Yield |
|---|---|
| With caesium carbonate; sodium iodide In acetonitrile at 65℃; for 12h; | 98% |
- 598-56-1
N,N-dimethyl-ethanamine
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
- 1227401-13-9
1-(2-diisopropylaminoethyl)dimethylethylammonium chloride
| Conditions | Yield |
|---|---|
| With sodium carbonate In acetonitrile for 24h; Reflux; | 98% |
- 93-35-6
7-hydroxy-2H-chromen-2-one
- 4261-68-1
1-chloro-2-diisopropylaminoethane hydrochloride
- 1173695-45-8
7-[2-(N,N-diisopropylamino)ethoxy]chromen-2-one
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 35 - 40℃; for 0.1h; Microwave irradiation; | 97% |
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Chemistry
Chemical Name: 2-Diisopropylaminoethyl chloride hydrochloride
IUPAC NAME: N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine hydrochloride
CAS No.: 4261-68-1
EINECS: 224-238-1
RTECS: TX1521900
RTECS Class: Primary Irritant
Molecular Formula: C8H19Cl2N
Molecular Weight: 200.15 g/mol
Melting Point: 129-132 °C(lit.)
The white to yellow crystalline powder is hygroscopic,soluble in water,and the solubility is equal to 0.1 g/mL,the structure of 2-CHLOROETHYLDIISOPROPYLAMINE HYDROCHLORIDE(4261-68-1) as follows:
The chemical synonymous of are (beta-chloroethyl)diisopropylaminehydrochloride;2’’-chloro-1,1’-dimethyl-triethylaminhydrochloride;n-(2-chloroethyl)-n-(1-methylethyl)-2-propanaminehydrochloride;n-(2-chloroethyl)-n-(1-methylethyl)-2-propanaminhydrochloride;n-(chloroethyl)diisopropylaminehydrochloride;N-(2-CHLOROETHYL)DIISOPROPYLAMINE HYDROCHLORIDE;2-DIISOPROPYLAMINOETHYL CHLORIDE HYDROCHLORIDE;2-CHLOROETHYL(DIISOPROPYL)AMINE HYDROCHLORIDE
Uses
2-CHLOROETHYLDIISOPROPYLAMINE HYDROCHLORIDE(4261-68-1) is used for the synthesis of pharmaceutical intermediates.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H SEV | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0539176 . | ||
| 2. | eye-rbt 100 mg SEV | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0539176 . | ||
| 3. | orl-rat LD50:96,750 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0539176 . | ||
| 4. | ihl-rat LC50:12 mg/m3/4H | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0539177 . | ||
| 5. | skn-rbt LD50:197 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0539176 . |
Safety Profile
A poison by is, inhalation, and skin contact. A severe skin and eye irritant. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
Hazard Codes:
T: Toxic 
C: Corrosive 
T+: Very toxic
Risk Statements about 2-CHLOROETHYLDIISOPROPYLAMINE HYDROCHLORIDE(4261-68-1):
R26 Very toxic by inhalation.
R34 Causes burns.
R24/25 Toxic in contact with skin and if swallowed.
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
Safety Statements about 2-CHLOROETHYLDIISOPROPYLAMINE HYDROCHLORIDE(4261-68-1):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S38 In case of insufficient ventilation, wear suitable respiratory equipment.
S45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
S28A After contact with skin, wash immediately with plenty of water.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
Specification
1. Storage: Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
2. Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
3. Personal Protection: Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
4. Fire Fighting: Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Extinguishing media: Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. In case of fire use water spray, dry chemical, carbon dioxide, or appropriate foam.