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Basic Information
| CAS No.: | 1943-83-5 |
|---|---|
| Name: | 2-Chloroethyl isocyanate |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H4ClNO |
| Molecular Weight: | 105.524 |
| Synonyms: | 2-CHLOROETHYL ISOCYANATE;1-CHLORO-2-ISOCYANATO-ETHANE;ISOCYANIC ACID 2-CHLOROETHYL ESTER;1-chloro-2-isocyanato-ethan;2-chlorethylisokyanat;nsc87418;2-CHLOROETHYL ISOCYANATE, LOW HCL, 97%;2-Chloroethyl isocyanate 97% |
| EINECS: | 217-734-4 |
| Density: | 1.237 |
| Melting Point: | 135 C |
| Boiling Point: | 135 ºC |
| Flash Point: | 56 ºC |
| Solubility: | reacts |
| Appearance: | liquid |
| Hazard Symbols: |
|
| Risk Codes: | R23/24/25;R34;R42 |
| Safety: | Moderately toxic by inhalation. Human mutation data reported. A flammable liquid. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also ISOCYANATES and ESTERS. |
| Transport Information: | UN 1993 |
| PSA: | 29.43000 |
| LogP: | 0.56100 |
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Synthetic route
- 98384-97-5
C3H4ClN3O
- 1943-83-5
2-chloroethyl isothiocyanate
Conditions
| Conditions | Yield |
|---|---|
| Heating; | 100% |
Conditions
| Conditions | Yield |
|---|---|
| With sodium azide In benzene for 5h; Heating; | 52% |
Conditions
| Conditions | Yield |
|---|---|
| With 1,2,3-trichlorobenzene at 140℃; |
Conditions
| Conditions | Yield |
|---|---|
| (i) CCl4, (ii) (heating); Multistep reaction; | |
| With triethylamine In diethyl ether |
Conditions
| Conditions | Yield |
|---|---|
| With pyridine; p-toluenesulfonyl chloride |
- 1943-83-5
2-chloroethyl isothiocyanate
Conditions
| Conditions | Yield |
|---|---|
| With phosphorus trichloride zuletzt auf dem Dampfbad; |
- 1943-83-5
2-chloroethyl isothiocyanate
Conditions
| Conditions | Yield |
|---|---|
| With phosphorus trichloride zuletzt auf dem Dampfbad; |
- 6329-26-6
ethyl N-(2-chloroethyl)carbamate
- 10026-13-8, 874483-75-7
phosphorus pentachloride
- 1943-83-5
2-chloroethyl isothiocyanate
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: carbon dioxide; 2-chloroethanamine hydrochloride With 1,1,1,3,3,3-hexamethyl-disilazane In toluene at 80 - 90℃; for 3h; Stage #2: at 200℃; Further stages.; |
Conditions
| Conditions | Yield |
|---|---|
| With diphenyl phosphoryl azide; triethylamine In toluene at 20 - 80℃; for 1.25h; Inert atmosphere; |
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2-Chloroethyl isocyanate
Chemistry
The Molecular formula of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5): C3H4ClNO
The Molecular Weight of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5): 105.52
The Molecular Structure of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
EINECS: 217-734-4
Boiling Point: 135 °C at 760 mmHg
Flash Point: 56.7 °C
Index of Refraction: 1.456
Molar Refractivity: 24.87 cm3
Molar Volume: 91.4 cm3
Polarizability: 9.86 10-24 cm3
Surface Tension: 36.2 dyne/cm
Density: 1.15 g/cm3
Enthalpy of Vaporization: 37.24 kJ/mol
Vapour Pressure: 7.88 mmHg at 25°C
storage temp.: 2-8°C
Water Solubility: reacts
Sensitive: Lachrymatory
Stability: Stable, but moisture sensitive. Combustible. Incompatible with water, moisture, strong oxidizing agents, strong bases, acids, alcohols, amines.
BRN: 1071429
IUPAC Name: 1-chloro-2-isocyanatoethane
Synonyms: 2-CHLOROETHYL ISOCYANATE;ISOCYANIC ACID 2-CHLOROETHYL ESTER;2-CHLOROETHYL ISOCYANATE, LOW HCL, 97%;2-chlorethylisokyanat;nsc87418;1-chloro-2-isocyanato-ethan;2-Chloroethyl isocyanate 97%;1-CHLORO-2-ISOCYANATO-ETHANE;
The Molecular Weight of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5): 105.52
The Molecular Structure of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
EINECS: 217-734-4
Boiling Point: 135 °C at 760 mmHg
Flash Point: 56.7 °C
Index of Refraction: 1.456
Molar Refractivity: 24.87 cm3
Molar Volume: 91.4 cm3
Polarizability: 9.86 10-24 cm3
Surface Tension: 36.2 dyne/cm
Density: 1.15 g/cm3
Enthalpy of Vaporization: 37.24 kJ/mol
Vapour Pressure: 7.88 mmHg at 25°C
storage temp.: 2-8°C
Water Solubility: reacts
Sensitive: Lachrymatory
Stability: Stable, but moisture sensitive. Combustible. Incompatible with water, moisture, strong oxidizing agents, strong bases, acids, alcohols, amines.
BRN: 1071429
IUPAC Name: 1-chloro-2-isocyanatoethane
Synonyms: 2-CHLOROETHYL ISOCYANATE;ISOCYANIC ACID 2-CHLOROETHYL ESTER;2-CHLOROETHYL ISOCYANATE, LOW HCL, 97%;2-chlorethylisokyanat;nsc87418;1-chloro-2-isocyanato-ethan;2-Chloroethyl isocyanate 97%;1-CHLORO-2-ISOCYANATO-ETHANE;
Toxicity Data With Reference
The Toxicity Information of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
| 1. | dni-hmn:fbr 75 µmol/L | CNREA8 Cancer Research. 38 (1978),1067. | ||
| 2. | dnd-ham:lng 13 µmol/L | CNREA8 Cancer Research. 38 (1978),3379. | ||
| 3. | ihl-mus LCLo:1000 mg/m3/10M | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report |
Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by inhalation. Human mutation data reported. A flammable liquid. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also ISOCYANATES and ESTERS.
The Hazard Codes of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
Xn, 
T, 
C
Hazard Note: Toxic/Corrosive/Lachrymatory/Sensitizer
HazardClass: 6.1
The Risk Statements information of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
34: Causes burns
42: May cause sensitization by inhalation
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
38: In case of insufficient ventilation, wear suitable respiratory equipment
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
7/9: Keep container tightly closed and in a well-ventilated place
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: NQ8450000
F: 10-19
PackingGroup: II
The Hazard Codes of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
Xn, T, C Hazard Note: Toxic/Corrosive/Lachrymatory/Sensitizer
HazardClass: 6.1
The Risk Statements information of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
34: Causes burns
42: May cause sensitization by inhalation
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of ISOCYANIC ACID-2-CHLOROETHYL ESTER(1943-83-5):
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
38: In case of insufficient ventilation, wear suitable respiratory equipment
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
7/9: Keep container tightly closed and in a well-ventilated place
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: NQ8450000
F: 10-19
PackingGroup: II
Standards and Recommendations
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD (UN 2207); DOT Class: 6.1; Label: Poison (UN 2206); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3080); DOT Class: 3; Label: Flammable Liquid, Poison (UN 2478)