In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2005 | 11 | Yes |
Popular Name: 2H-1,4-Benzoxazin-3(4H)-one 2H-1,4-Benzoxazin-3(4H)-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5466-88-6 , [5466-88-6]
2H-1,4-Benzoxazin-3(4H)-One [5466-88-6]
2H-1,4-Benzoxazin-3(4H)-one, 99%
2H-1,4-BENZOXAZIN-3(4H)-ONE; [5466-88-6]
2H-benzo[b][1,4]oxazin-3(4H)-one
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) | 0.99 | 1.71 | -6.78 | 1 | 3 | 0 | 38 | 149.149 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 172 - 173 | KeyOrganics |
Mp [°C] | 172 - 176 | Acros Organics |
MP | 172-173° | Matrix Scientific |
MP | 173 - 175 | Enamine Building Blocks |
MP | 173-174.5o C | Indofine |
MP | 173-175 °C(lit.) | Indofine |
Melting_Point | 173-175? | Alfa-Aesar |
Melting_Point | 173-175° | Alfa-Aesar |
MP | 173...175 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
Purity | >95% | Matrix Scientific |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | 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; 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 |
SOLUBILITY | Soluble in Chloroform | Indofine |
Hazard | XI: Irritant | Acros Organics |