| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 9 | No |
Popular Name: Hexyl Isocyanate Hexyl Isocyanate
Find On: PubMed — Wikipedia — Google
CAS Number: 2525-62-4
1-Hexyl isocyanate; EINECS 219-763-8; Hexane, 1-isocyanato-; LS-183274
1-Hexyl isocyanate; HMI; hexyl monoisocyanate; hexylmonoisocyanate
| 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) | 2.52 | 0.12 | -2.29 | 0 | 2 | 0 | 29 | 127.187 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 162 - 164 | Acros Organics |
| BP | 164 | TCI |
| PUBCHEM_PATENT_ID | EP1029863A1 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H332: Harmful if inhaled; H335: May cause respiratory irritation; H318: Causes serious eye damage; H312: Harmful in contact with skin; H315: Cause | Acros Organics |
| UniProt Database Links | MIER1_HUMAN | ChEBI |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R41: Risk of serious damage to eyes.; R42: May cause sensitisation by inhalation. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
