| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 10 | No |
Popular Name: N,N,N-Trimethylbenzenaminium bromide N,N,N-Trimethylbenzenaminium bro…
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CAS Numbers: 10351-19-6 , 138-24-9 , 16056-11-4 , 1899-02-1 , 1998/4/4 , 28001-58-3 , 4207-56-1 , 98-04-4 , [98-04-4]
"Phenyltrimethylammonium chloride, 98%"
Mono(N,N,N-trimethylbenzenaminium) tribromide
N,N,N-Trimethylanilinium chloride
N,N,N-trimethylanilinium hydroxide
N,N,N-Trimethylanilinium iodide
N,N,N-Trimethylanilinium tribromide
N,N,N-Trimethylbenzenaminium chloride
Phenyltrimethylammonium bromide
Phenyltrimethylammonium chloride
Phenyltrimethylammonium chloride, 98+%
Phenyltrimethylammonium Hydroxide
Phenyltrimethylammonium hydroxide, 0.1 M in methanol
Phenyltrimethylammonium iodide
Phenyltrimethylammonium iodide, 99%
Phenyltrimethylammonium methosulfate
Phenyltrimethylammonium tribromide
Phenyltrimethylammonium tribromide, 97%
PHENYLTRIMETHYLAMMONIUMHYDROXIDE
PhenyltrimethylammoniumTribromide
TRIMETHYLBENZENAMINIUMCHLORIDE NNN-,,
TriMethylphenylaMMoniuM BroMide
Trimethylphenylammonium chloride
Trimethylphenylammonium Hydroxide (20-25% in Methanol)
Trimethylphenylammonium Hydroxide (20-25% in Methanol) [for On-Column Methylation]
Trimethylphenylammonium iodide
Trimethylphenylammonium tribromide
Trimethylphenylammoniumbromide
| 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) | -1.94 | 7.44 | -28.38 | 0 | 1 | 1 | 0 | 136.218 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 112-117? | Alfa-Aesar |
| Melting_Point | 112-117° | Alfa-Aesar |
| Mp [°C] | 227 | Acros Organics |
| Mp [°C] | 237 | Acros Organics |
| MP | 246-248° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Melting_Point | ca 227? subl. | Alfa-Aesar |
| Melting_Point | ca 227° subl. | Alfa-Aesar |
| Melting_Point | ca 236? subl. | Alfa-Aesar |
| Melting_Point | ca 236° subl. | Alfa-Aesar |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; T: Toxic | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H370: Causes damage to organs; H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled | Acros Organics |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H318: Causes serious eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | 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 rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P26 | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| P phrase | P307 + P311: IF exposed: Call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P307 + P311: IF exposed: Call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protect | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/38: Irritating to eyes and skin.; R39/23/24/25: Toxic : danger of very serious irreversible effects through inhalation, in contact with skin and if swallow | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R41: Risk of serious damage to eyes. | Acros Organics |
| S phrase | S25: Avoid contact with eyes. | Acros Organics |
| S phrase | S25: Avoid contact with eyes.; S39: Wear eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S53: Avoid exposure - obtain special instructions before use. | 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 |
| S phrase | S7: Keep container tightly closed. | Acros Organics |
| S phrase | S7: Keep container tightly closed.; S16: Keep away from sources of ignition - No smoking.; 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/fac | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.