In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 14 | Yes |
Popular Name: 4-amino-3-(trifluoromethoxy)benzonitrile 4-amino-3-(trifluoromethoxy)benz…
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CAS Numbers: 175278-23-6 , [175278-23-6]
4-Amino-3-(trifluoromethoxy)benzonitrile 97%
4-Amino-3-(trifluoromethyl)benzonitrile
4-Cyano-2-(trifluoromethoxy)aniline, 2-Amino-5-cyano-alpha,alpha,alpha-trifluoroanisole
AMINOTRIFLUOROMETHOXYBENZONITRIL
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) | 2.07 | 2.19 | -6.55 | 2 | 3 | 0 | 59 | 202.135 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 71-73° | Matrix Scientific |
Mp [°C] | 72 | Acros Organics |
Purity | 97% | Matrix Scientific |
H phrase | H335: May cause respiratory irritation | Acros Organics |
H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation | 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 | 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.