| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: 5-Amino-2-cyanobenzotrifluoride 5-Amino-2-cyanobenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 654-70-6 , [654-70-6]
"2-Cyano-5-amino benzotrifluoride, 99%"
2-Trifluoromethyl4-Aminobenzonitrile
4-Amino 2-trifluoromethyl benzonitrile
4-Amino-2-(trifluoromethyl)benzonitrile
4-Amino-2-(trifluoromethyl)benzonitrile 98%
4-Amino-2-(trifluoromethyl)benzonitrile, 97%
4-Amino-2-trifluoromethylbenzonitrile
4-Cyano-3-(trifluoromethyl)aniline
4-Cyano-3-trifluoromethylaniline
5-Amino-2-cyanobenzotrifluoride, 4-Cyano-3-(trifluoromethyl)aniline
| 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) | 1.59 | 3.54 | -8.68 | 2 | 2 | 0 | 50 | 186.136 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 136-139? | Alfa-Aesar |
| Melting_Point | 136-139° | Alfa-Aesar |
| MP | 137 - 139 | Enamine Building Blocks |
| MP | 137...139 | Enamine Building Blocks |
| MP | 138 - 139 | Enamine Building Blocks |
| MP | 139 - 139 | Enamine Building Blocks |
| MP | 139 - 141 | Enamine Building Blocks |
| MP | 142 | TCI |
| Mp [°C] | 144 - 146 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | APIChem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H332: Harmful if inhaled | 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 | 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 |
| Warnings | TOXIC | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
