In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 23 | No |
Popular Name: methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate methyl 3-[2-nitro-4-(trifluorome…
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CAS Number: 91041-20-2
methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]-2-thiophenecarboxylate
Methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate 97%
Methyl-3-[2-Nitro-4-(Trifluoromethyl)Phenoxy]Thiophene-2-Carboxylate
METHYL3-[2-NITRO-4-(TRIFLUOROMETHYL)PHENOXY]THIOPHENE-2-CARBOXYLATE
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) | 4.13 | 5.17 | -15.1 | 0 | 6 | 0 | 81 | 347.27 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 108 - 110 | KeyOrganics |
Mp [°C] | 111.5 - 113 | Acros Organics |
H phrase | H319: Causes serious eye irritation | Acros Organics |
H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H332: Harmful if inhaled; H302: Harmful if swallowed; H335: May cause respiratory 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P30 | Acros Organics |
R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
R phrase | R20/22: Harmful by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S22: Do not breathe dust. | Acros Organics |
S phrase | S22: Do not breathe dust.; 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 |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.