| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 11 | No |
Popular Name: (1-Isocyanatoethyl)benzene (1-Isocyanatoethyl)benzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14649-03-7 , 1837-73-6 , 33375-06-3 , 93470-27-0 , [1837-73-6]
(R)-(+)-1-Phenylethyl isocyanate
(r)-(+)-alpha-methylbenzylisocyanate
(S)-(+)-1-Cyclohexylethyl isocyanate
(S)-(+)-1-Cyclohexylethyl isocyanate, 94%
(S)-(-)-1-Phenylethyl isocyanate
(S)-(-)-1-Phenylethyl isocyanate, 98%
(S)-(-)-?-Methylbenzyl isocyanate
(S)-(-)-alpha-Methylbenzyl isocyanate
(S)-(-)-alpha-Methylbenzyl isocyanate, 98%
(s)-(-)-alpha-methylbenzylisocyanate
(S)-(-)-^a-Methylbenzyl isocyanate
Isocyanic Acid (S)-(-)--Methylbenzyl Ester
Isocyanic Acid (S)-(-)-á-Methylbenzyl Ester
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.03 | 0.62 | -3.26 | 0 | 2 | 0 | 29 | 147.177 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 210-215? | Alfa-Aesar |
| Boiling_Point | 210-215° | Alfa-Aesar |
| BP [°C] | 55 - 56 (p=2.5 torr) | Acros Organics |
| Boiling_Point | 55-56?/2.5mm | Alfa-Aesar |
| Boiling_Point | 55-56°/2.5mm | Alfa-Aesar |
| BP | 92-95°/17mm | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| BP | 98 / 23 | TCI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H330: Fatal if inhaled; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P310: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash w | Acros Organics |
| R phrase | R26: Very toxic by inhalation. | Acros Organics |
| R phrase | R26: Very toxic by inhalation.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | T+: Very toxic | Acros Organics |
