| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 3-(Methylsulfonyl)aniline hydrochloride 3-(Methylsulfonyl)aniline hydroc…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 35216-39-8 , 80213-28-1 , [35216-39-8] , [80213-28-1]
"3-(Methylsulfonyl)aniline hydrochloride, 98%"
3-(Methylsulphonyl)aniline hydrochloride
3-Methylsulfonylaniline hydrochloride
3-methylsulfonylanilinehydrochloride
3-Methylsulphonylaniline hydrochloride
3-Methylsulphonylaniline hydrochloride, 95%
benzenamine, 3-(methylsulfonyl)-, hydrochloride
| 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) | -0.14 | -0.09 | -11.23 | 2 | 3 | 0 | 60 | 171.221 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149 - 151 | Enamine Building Blocks |
| MP | 149...151 | Enamine Building Blocks |
| Mp [°C] | 227 - 230 | Acros Organics |
| MP | 228-230°(dec) | Matrix Scientific |
| MP | 228-230°(dec.) | Fluorochem |
| MP | 49 - 51 | Enamine Building Blocks |
| MP | 49...51 | Enamine Building Blocks |
| MP | 58 - 60 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
