In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 11 | No |
Popular Name: 1-isocyanato-2-methoxybenzene 1-isocyanato-2-methoxybenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 700-87-8 , [700-87-8]
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) | 1.78 | 1.91 | -5.07 | 0 | 3 | 0 | 39 | 149.149 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 116 - 119 | Enamine Building Blocks |
MP | 116...119 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks |
Boiling_Point | 94-96?/10mm | Alfa-Aesar |
Boiling_Point | 94-96°/10mm | Alfa-Aesar |
BP [°C] | 94.7 - 95.4 (p=10 torr) | Acros Organics |
purity | 95 | Enamine Building Blocks |
BP | 96 / 10 | TCI |
Purity | 99% | Fluorochem |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled; H302: Harmful if swallowed; H312: Harmful in contact with skin | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | 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. | Acros Organics |
S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
S phrase | S23: Do not breathe gas/fumes/vapour/spray.; 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. | Acros Organics |
Warnings | Toxic/Moisture Sensitive | Matrix Scientific |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.