| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | Yes |
Popular Name: Benzenesulfonic acid Benzenesulfonic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1188263-80-0 , 16879-48-4 , 19402-64-3 , 1998/11/3 , 26158-00-9 , 35848-07-8 , 39819-65-3 , 515-42-4 , 82228-89-5 , 934-55-4 , 935669-28-6 , 98-11-3 , N/A , [1188263-80-0] , [19402-64-3] , [26158-00-9] , [515-42-4] , [98-11-3]
(R)-2-Methylazetidine as benzenesulfonic acid salt
3-methylazetidine benzenesulfonic acid salt
3-METHYLAZETIDINEBENZENESULFONICACIDSALT
4-Formyl-1-methyl-pyridinium benzenesulfonate
4-Formyl-1-methylpyridin-1-ium benzenesulfonate
4-formyl-1-methylpyridinium benzenesulfo nate
4-formyl-1-methylpyridinium benzenesulfonate
4-Formyl-1-methylpyridinium benzenesulfonate hydrate
Benzenesulfonic acid monohydrate
Benzenesulfonic acid nickel salt
Benzenesulfonic acid, 90%, tech.
Benzenesulfonic acid, 90%, technical
Benzenesulfonic acid, ammonium salt
Benzenesulfonic acid, sodium salt, 98%
Benzenesulfonic acid, tech. ca 75% w/w aq. soln.
benzenesulfonicacidmonohydrate
BS; benzenesulfonate; benzenesulfonic acid
Ethyl 2-amino-2-cyanoacetate benzenesulfonate
N-Methylpyridinium-4-carboxaldehyde benzenesulfonate hydrate
N-Methylpyridinium-4-carboxaldehyde benzenesulfonate hydrate, 97%
n-methylpyridinium-4-carboxaldehydebenzenesulfonatehydrate
Nickel(II) Benzenesulfonate Hexahydrate
nickel(ii)benzenesulfonatehexahydrate
| 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) | -1.07 | 0.57 | -44.94 | 0 | 3 | -1 | 57 | 157.17 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 45 - 50 | Acros Organics |
| Mp [°C] | 450 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Melting_Point | 98-100? | Alfa-Aesar |
| Melting_Point | 98-100° | Alfa-Aesar |
| Hazard | C: Corrosive | Acros Organics |
| Melting_Point | ca 45-50? | Alfa-Aesar |
| Melting_Point | ca 45-50° | Alfa-Aesar |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | 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.