In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 7 | Yes |
Popular Name: Bromobenzene Bromobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-61-1 , 108-85-0 , 108-86-1 , 112630-77-0 , 13122-41-3 , 22069-96-1 , 2655-84-7 , 2905-25-1 , 4165-57-5 , 542-82-4 , 583-19-7 , 588-96-5
108-86-1; Bromobenzene; C11036
2-Bromobenzene sulfonyl chloride
Bromobenzene (1mg/ml in Methanol) [for Water Analysis]
Bromobenzene-d5, 99% (Isotopic)
Bromobenzene-d5, for NMR, 99+ atom % D
Bromobenzene; C6H5Br; Monobromobenzene; PhBr; Phenyl bromide
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) | 2.75 | 5.11 | -2.11 | 0 | 0 | 0 | 0 | 157.01 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 31 | Acros Organics |
Melting_Point | 31? | Alfa-Aesar |
Melting_Point | 31° | Alfa-Aesar |
Boiling_Point | 155-156? | Alfa-Aesar |
Boiling_Point | 155-156° | Alfa-Aesar |
BP [°C] | 156 | Acros Organics |
BP [°C] | 53 (p=23 torr) | Acros Organics |
Boiling_Point | 53?/23mm | Alfa-Aesar |
Boiling_Point | 53°/23mm | Alfa-Aesar |
Purity | 98% | Fluorochem |
Patent Database Links | EP1081133; EP1428818; EP1661887; US2005070597; US2006160785; US2007203195; US2007219141; WO2005028409; WO2005030140; WO2005035517; WO2006003651; WO2006060808; WO2007099432 | ChEBI |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H411: Toxic to aquatic life with long lasting effects; H226: Flammable liquid and vapor | Acros Organics |
H phrase | H411: Toxic to aquatic life with long lasting effects | Acros Organics |
H phrase | H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H226: Flammable liquid and vapor | Acros Organics |
UniProt Database Links | HMOX1_HUMAN; HMOX1_MOUSE; HMOX1_PIG; HMOX1_RAT | ChEBI |
P phrase | P273: Avoid release to the environment | Acros Organics |
P phrase | P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
R phrase | R10: Flammable. | Acros Organics |
R phrase | R10: Flammable.; R38: Irritating to skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
S phrase | S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
PUBCHEM_PATENT_ID | US5506147 | IBM Patent Data |
Hazard | XI: Irritant | Acros Organics |
Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.