| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 10 | Yes |
Popular Name: 3-chloro-4-fluorobenzylamine 3-chloro-4-fluorobenzylamine
Find On: PubMed — Wikipedia — Google
CAS Number: 72235-56-4
"3-Chloro-4-fluorobenzylamine, 99%"
(3-chloro-4-fluorophenyl)methanamine
1-(3-chloro-4-fluorophenyl)methanamine
3-Chloro-4-fluorobenzylamine 97%
3-Chloro-4-Fluorobenzylamine [72235-56-4]
3-Chloro-4-fluorobenzylamine, 97%
3-Chloro-4-fluorophenylmethanamine
| 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) | 1.89 | 3.09 | -51.65 | 3 | 1 | 1 | 28 | 160.599 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 104-105?/15mm | Alfa-Aesar |
| Boiling_Point | 104-105°/15mm | Alfa-Aesar |
| BP | 104-106°/15mm | Matrix Scientific |
| BP [°C] | 111 - 113 (p=15 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Warnings | AIR SENSITIVE, KEEP COLD, CORROSIVE | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | Corrosive/Air Sensitive/Refrigerate | Matrix Scientific |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.