| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 4-Amino-3-bromobenzotrifluoride 4-Amino-3-bromobenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 175278-17-8 , 54403-97-3 , 57946-63-1 , [57946-63-1]
"4-Amino-3-bromobenzotrifluoride, 98%"
2-Bromo-4-(trifluoromethoxy)aniline
2-bromo-4-(trifluoromethyl)aniline
2-Bromo-4-(trifluoromethyl)aniline hydrochloride
2-Bromo-4-(trifluoromethyl)aniline, 97%
2-bromo-4-trifluoromethylaniline
4-Amino-3-bromobenzotrifluoride 98%
4-Amino-3-bromobenzotrifluoride, 95%+
4-Amino-3-bromobenzotrifluoride, 99%
Benzenamine, 2-bromo-4-(trifluoromethyl)-
Benzenamine, 2-bromo-4-(trifluoromethyl)-, hydrochloride (1:1)
| 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) | 3.05 | 0.75 | -3.28 | 2 | 1 | 0 | 26 | 240.022 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 109-110?/10mm | Alfa-Aesar |
| Boiling_Point | 109-110°/10mm | Alfa-Aesar |
| BP [°C] | 110 (p=10 torr) | Acros Organics |
| BP | 110°/10mm | Matrix Scientific |
| MP | 26-28° | Oakwood Chemical |
| Melting_Point | 26-33? | Alfa-Aesar |
| Melting_Point | 26-33° | Alfa-Aesar |
| mp | 32 - 33 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; 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 | 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.; 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.