In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 14 | No |
Popular Name: Methyl 2-hydroxy-3-nitrobenzoate Methyl 2-hydroxy-3-nitrobenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22621-41-6 , [22621-41-6]
2-Hydroxy-3-nitrobenzoic acid methyl ester
Methyl 2-hydroxy-3-nitrobenzoate, 98%
methyl-2-hydroxy-3-nitrobenzoate
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) | 1.83 | 5.45 | -51.62 | 0 | 6 | -1 | 95 | 196.138 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 7.03 | -47.29 | 5 | 7 | 1 | 101 | 389.483 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 127 - 132 | Acros Organics |
Melting_Point | 129-132? | Alfa-Aesar |
Melting_Point | 129-132° | Alfa-Aesar |
Purity | 97% | Fluorochem |
H phrase | H319: Causes serious eye irritation | Acros Organics |
H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
R phrase | R22: Harmful if swallowed. | Acros Organics |
R phrase | R22: Harmful 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
Hazard | XN: Harmful | Acros Organics |