| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | Yes |
Popular Name: 3-Chloro-4-fluoroaniline 3-Chloro-4-fluoroaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 367-21-5 , [367-21-5]
"3-Chloro-4-fluoroaniline, 98%"
3-Chloro-4-Fluoroaniline [367-21-5]
| 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) | 1.78 | 2.93 | -4.38 | 2 | 1 | 0 | 26 | 145.564 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 227-228° | Matrix Scientific |
| Boiling_Point | 227-230? | Alfa-Aesar |
| Boiling_Point | 227-230° | Alfa-Aesar |
| BP [°C] | 230 | Acros Organics |
| Mp [°C] | 42 - 47 | Acros Organics |
| MP | 44 - 47 | Enamine Building Blocks |
| Melting_Point | 44-47? | Alfa-Aesar |
| Melting_Point | 44-47° | Alfa-Aesar |
| MP | 44...47 | Enamine Building Blocks |
| MP | 45 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| Purity | 98% | Matrix Scientific |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| _Notes | Intermediate for the synthesis of quinoline antibiotic norfloxacin. For an efficient synthesis see: J. Chem. Soc., Chem. Comm., 1339 (1995) | Apollo 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 |
| Warnings | TOXIC | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.