| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 6 | Yes |
Popular Name: Cyclohexane Cyclohexane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-82-7 , 14545-82-5 , 1735-17-7 , 211188-82-8 , 4361-26-6 , 71-43-2
"Cyclohexane, 99.7% [ACS/HPLC certified]"
4-NITROPHENYL PHOSPHATE BIS(CYCLOHEXYL-
CHEBI:41506; CHEBI:4009; CHEBI:23472
CPD-8923; cyclohexane; hexahydrobenzene; hexamethylene; hexanaphthene; polycyclohexane
Cyclohexan; hexahydrobenzene; hexamethylene; hexanaphthene
Cyclohexane [for HPLC Solvent]
Cyclohexane [for Spectrophotometry]
Cyclohexane, 99+%, for spectroscopy
Cyclohexane, 99+%, for spectroscopy ACS
Cyclohexane, 99.5%, Extra Dry over Molecular Sieve, AcroSeal§4
Cyclohexane, 99.5%, Extra Dry over Molecular Sieve, AcroSeal®
Cyclohexane, 99.5%, Extra Dry, AcroSeal§4
Cyclohexane, 99.5%, Extra Dry, AcroSeal®
Cyclohexane, 99.5%, extra pure
Cyclohexane, 99.5%, for analysis
Cyclohexane, Environmental Grade
Cyclohexane, Environmental Grade, 99.7+%
Cyclohexane, for pesticide residue analysis
Cyclohexane, for residue analysis, suitable for residue and pesticides analysis
Cyclohexane, HPLC Grade, 99% min
Cyclohexane-d12, for NMR, 99.5 atom % D
Cyclohexane-d{12}, 99.5%(Isotopic)
Hexahydro-Benzene;Hexahydrobenzene;Hexamethylene;Hexanaphthene
| 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) | 3.21 | 4.83 | -0.06 | 0 | 0 | 0 | 0 | 84.162 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.93e-02 g/l | DrugBank-experimental |
| MP | 4-7° | Oakwood Chemical |
| Mp [°C] | 6.5 | Acros Organics |
| Melting_Point | 6.5? | Alfa-Aesar |
| Melting_Point | 6.5° | Alfa-Aesar |
| BP [°C] | 78 | Acros Organics |
| Boiling_Point | 80-81? | Alfa-Aesar |
| BP | 80-81° | Oakwood Chemical |
| BP [°C] | 81 | Acros Organics |
| Boiling_Point | 81? | Alfa-Aesar |
| Boiling_Point | 81° | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| UniProt Database Links | CDK9_BOVIN; CDK9_HUMAN; CDK9_MOUSE; CDK9_RAT; CHDH_AZOSP; HEXI1_HUMAN; HEXI1_MOUSE; HEXI1_RAT; HEXI2_HUMAN; HYES_CORS2; TRPM1_HUMAN | ChEBI |
| Patent Database Links | EP0782994; EP0796845; EP0806419; EP0818452; EP0825165; EP0835873; EP0856515; EP0911338; EP0926136; EP0950655; EP0955297; EP0967205; EP0976703; EP0979823; EP0982300; EP0987254; EP1000944; EP1006116; EP1016664; EP1020442; EP1020451; EP1026142; EP1038864; EP | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful; N: Dangerous for the environment | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways; H336: May cause drowsiness or dizziness; H315: Causes skin irritation; H410: Very toxic to aquatic life with long lasting effects; H225: Highly flammable liquid and vapor | Acros Organics |
| H phrase | H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H410: Very toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H336: May cause drowsiness or dizziness; H304: May be fatal if swallowed and enters airways; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P331: Do NOT induce | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel u | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R38: Irritating to skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause lung damage if swallowed.; R67: Vapours may cause drowsiness and dizziness. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S25: Avoid contact with eyes.; S33: Take precautionary measures against static discharges.; S51: Use only in well-ventilated areas.; S60: This material | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.