| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 9 | No |
Popular Name: Nitrobenzene Nitrobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-29-8 , 1122-60-7 , 4165-60-0 , 610-67-3 , 98-95-3
98-95-3; benzene-NO2; nitro-benzene; nitrobenzene
98-95-3; C06813; Nitrobenzene; Nitrobenzol
CHEBI:116696; CHEBI:44199; CHEBI:7588; CHEBI:25551
Nitrobenzene, 99+%, ACS reagent
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 210 | TCI |
| BP [°C] | 210 - 211 | Acros Organics |
| BP | 210-211° | Oakwood Chemical |
| Boiling_Point | 210-212? | Alfa-Aesar |
| Boiling_Point | 210-212° | Alfa-Aesar |
| Boiling_Point | 211? | Alfa-Aesar |
| Boiling_Point | 211° | Alfa-Aesar |
| UniProt Database Links | 2AMD_PSEPS; AMNA_COMTE; AMNB_COMTE; HABA_PSEPS; HABB_PSEPS; PHAM_XANAG | ChEBI |
| Mp [°C] | 5 - 6 | Acros Organics |
| Melting_Point | 5-6? | Alfa-Aesar |
| Melting_Point | 5-6° | Alfa-Aesar |
| MP | 6 | TCI |
| Melting_Point | 6? | Alfa-Aesar |
| Melting_Point | 6° | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP0812845; EP0894832; EP0916675; EP1036821; EP1201627; EP1201628; EP1201663; EP1408026; EP1431278; EP1580193; EP1676842; EP1721899; EP1929998; GB2090853; US2002010968; US2003073872; US2003113279; US2005132507; US2005235433; US2006016025; US2006035940; US2 | ChEBI |
| H phrase | H331: Toxic if inhaled | Acros Organics |
| H phrase | H331: Toxic if inhaled; H372: Causes damage to organs through prolonged or repeated exposure; H351: Suspected of causing cancer; H311: Toxic in contact with skin; H412: Harmful to aquatic life with long lasting effects; H301: Toxic if swallowed; H360F: Ma | 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; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R40: Limited evidence of a carcinogenic effect.; R48/23/24/25: Toxic : danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallow | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid rele | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.