| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 2-methoxyphenyl isothiocyanate 2-methoxyphenyl isothiocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3288-04-8 , 4/8/3288 12:00:00 AM
1-Isothiocyanato-2-methoxybenzene
2-Methoxyphenyl isothiocyanate, 98%
2-Methoxyphenyl isothiocyanate, 99%
| 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) | 3.31 | 0.5 | -6.72 | 0 | 2 | 0 | 21 | 165.217 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 264 - 266 | Acros Organics |
| BP | 264-266° | Matrix Scientific |
| BP | 267 | TCI |
| Boiling_Point | 267? | Alfa-Aesar |
| Boiling_Point | 267° | Alfa-Aesar |
| Purity | 98% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H311: Toxic in contact with skin; H335: May cause respiratory irritation; H301: Toxic if swallowed; H331: Toxic if inhaled; H315: Causes skin irritation | Acros Organics |
| Warnings | MOISTURE SENSITIVE, LACHRYMATOR, TOXIC, CORROSIVE | Matrix Scientific |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S28A: After contact with skin, wash immediately with plenty of water.; S38: In case of insufficient ventilation, wear suitable respiratory equipment.; S36/ | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Warnings | Toxic/Corrosive/Moisture Sensitive/Lachrymator | Matrix Scientific |
