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| CAS No.: | 2094-99-7 |
|---|---|
| Name: | 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C13H15 N O |
| Molecular Weight: | 201.268 |
| Synonyms: | Isocyanicacid, m-isopropenyl-a,a-dimethylbenzyl ester (7CI,8CI);1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene;1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene; 3-Isopropenyl-a,a-dimethylbenzyl isocyanate; 3-Isopropenyl-a,a'-dimethylbenzyl isocyanate; Cytec TMI;Dimethyl-m-isopropenylbenzyl isocyanate; TMI; Takenate TMI; m-Isopropenyl-a,a-dimethylbenzyl isocyanate; m-Isopropenylcumylisocyanate; m-Isopropenyldimethylbenzyl isocyanate; m-TMI; meta-TMI; a,a-Dimethyl-m-isopropenylbenzyl isocyanate |
| Density: | 0.94g/cm3 |
| Boiling Point: | 325.5°Cat760mmHg |
| Flash Point: | 133.3°C |
| Hazard Symbols: |
 
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| Risk Codes: | 26-34-42/43-48/20-50/53 |
| Safety: | Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 29.43000 |
| LogP: | 3.29060 |
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- 75-13-8
isocyanic acid
- 3748-13-8
1,3-bis(1-methylethenyl)-benzene
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
| Conditions | Yield |
|---|---|
| With monoammonium para-toluenesulfonate In toluene |
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 20℃; for 12h; Equilibrium constant; | |
| Multi-step reaction with 3 steps 1: chloroform-d1 / 360 h / 20 °C 2: chloroform-d1 / 360 h / 20 °C 3: chloroform-d1 / 16 h / 37 °C View Scheme |
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: chloroform-d1 / 360 h / 20 °C 2: chloroform-d1 / 16 h / 37 °C View Scheme |
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 37℃; for 16h; |
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- 17869-07-7
1-amino-4-hydroxy-2-(2'-hydroxyethoxy)-anthraquinone
| Conditions | Yield |
|---|---|
| dibutyltin dilaurate In toluene at 90℃; for 2h; Heating / reflux; | 100% |
- 16033-73-1
2,7,9,14-tetraoxo-3,6,10,13-tetraoxa-1(1),8(1,4),15(1)-tribenzena-pentadecaphane-14,154-dicarboxylic acid bis-(2-hydroxy-ethyl ester)
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- 1356927-82-6
C58H60N2O16
| Conditions | Yield |
|---|---|
| With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
- 959-26-2
Bis(2-Hydroxyethyl)terephthalat
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- 1356927-80-4
C38H44N2O8
| Conditions | Yield |
|---|---|
| With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
- 2144-69-6
bis(2-hydroxy ethyl terephthaloyl) ethylene
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- 1356927-81-5
C48H52N2O12
| Conditions | Yield |
|---|---|
| With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
- 827027-25-8
N,N,N-trimethyl-N-(2-hydroxyethyl)ammonium bis(trifluoromethanesulfonyl)imide
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 60℃; for 3h; | 98.37% |
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Chemistry
Molecular formula:C13H15NO
Molecular Weight:201.26
EINECS: 402-440-2
Boiling point:268-271 °C(lit.)
Fp:>230 °F
density:1.018 g/mL at 25 °C(lit.)
refractive index:n:20/D 1.53(lit.)
Toxicity Data With Reference
| 1. | orl-rat LD50:3410 mg/kg | JACTDZ Journal of the American College of Toxicology. 1 (1990),43. | ||
| 2. | ihl-gpg LC50:750 mg/m3/1H | JACTDZ Journal of the American College of Toxicology. 1 (1990),43. |
Safety Profile
Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
1-(1-ISOCYANATO-1-METHYLETHYL)-3-(1-METHYLETHENYL)BENZENE's Risk Statements:
26: Very Toxic by inhalation
34: Causes burns
42/43: May cause sensitization by inhalation and skin contact
48/20: Harmful: danger of serious damage to health by prolonged exposure through inhalation
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
1-(1-ISOCYANATO-1-METHYLETHYL)-3-(1-METHYLETHENYL)BENZENE's Safety Statements:
7: Keep container tightly closed
15: Keep away from heat
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
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)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Hazard Codes:T+,N
RIDADR:UN 2206 6.1/PG 3
HazardClass:6.1(a)
PackingGroup:II