| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 4-Bromo-2-fluorobenzonitrile 4-Bromo-2-fluorobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105942-08-3 , 105942-09-4
"4-Bromo-2-fluorobenzonitrile, 98%"
4-Bromo-2-fluorobenzonitrile 98%
4-Bromo-2-Fluorobenzonitrile [105942-08-3]
4-Bromo-2-fluorobenzonitrile, 99%
| 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) | 2.59 | 2.51 | -5.23 | 0 | 1 | 0 | 24 | 200.01 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 238-239? | Alfa-Aesar |
| Boiling_Point | 238-239° | Alfa-Aesar |
| MP | 68-71° | Matrix Scientific |
| Mp [°C] | 69 - 72 | Acros Organics |
| Melting_Point | 69-72? | Alfa-Aesar |
| Melting_Point | 69-72° | Alfa-Aesar |
| MP | 69...72 | Enamine Building Blocks |
| MP | 71 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H315: Causes skin irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant-Harmful/Light Sensitive | 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.