| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | No |
Popular Name: 4-CHLORO-3-FLUOROBENZALDEHYDE 4-CHLORO-3-FLUOROBENZALDEHYDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5527-95-7 , 61072-56-8 , [5527-95-7] , [61072-56-8]
"4-Chloro-3-fluorobenzaldehyde, 98%"
4-Chloro-3-fluorobenz-aldehyde
4-Chloro-3-fluorobenzaldehyde 98%
4-Chloro-3-Fluorobenzaldehyde [5527-95-7]
4-Chloro-3-fluorobenzaldehyde, 98%
| 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) | 2.50 | 2.18 | -6 | 0 | 1 | 0 | 17 | 158.559 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 46 - 49 | Acros Organics |
| Melting_Point | 46-48? | Alfa-Aesar |
| Melting_Point | 46-48° | Alfa-Aesar |
| MP | 46-49° | Matrix Scientific |
| MP | 47-49° | Oakwood Chemical |
| MP | 48 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful 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.