UCSF

ZINC01699890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 Yes

Popular Name: Mesitylene Mesitylene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108-67-8 , 1160707-20-9 , 12129-69-0 , 1839-63-0 , 300664-99-7 , 52462-31-4 , [108-67-8]

Other Names:

"Mesitylene, 98% [extra pure]"

(Mesitylene)tungsten tricarbonyl

(Mesitylene)tungsten tricarbonyl, 98%

(R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethanol[127852-28-2]

(S)-1-[3,5-Bis(Trifluoroemthyl)Phenyl]Ethylamine [225920-05-8]

1,3, 5-Trimethylbenzene;1,3,5-Trimethyl-Benzene;1,3,5-Trimethylbenzene;1,3,5-Trimethylbenzene (mesitylene);2,4,6-Trimethylbenzene;3,5-Dimethyltoluene;Fleet-X;Mesitylene;Mesitylene (ACD/Name 4.0);S-Trimethylbenzene;Sym-Trimethylbenzene;TMB;Trimethylbenzol

1,3,5-Trimethylbenzene

1,3,5-Trimethylbenzene (1mg/ml in Methanol) [for Water Analysis]

1,3,5-Trimethylbenzene; 1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]; 3,5-Dimethyltoluene; AI3-23973; Benzene, 1,3,5-trimethyl-; EINECS 203-604-4; Fleet-X; HSDB 92; LS-89876; Mesitylene; NSC 9273; TMB; Trimethylbenzene, 1,3,5-; Trimethylbenzol; UN23

1,3,5-Trimethylbenzene; 108-67-8; C14508; Mesitylene

1,3,5-Trimethylbenzene; 3,5-dimethyltoluene; Mesitylene; s-trimethylbenzene; sym-trimethylbenzene

1,3,5-TriMethylcyclohexane

3,5-Bis(trifluoromethyl)-DL-Phenylalanine

3,5-Bis(Trifluoromethyl)-N-Ethylaniline[49850-16-0]

3,5-Bis(Trifluoromethyl)Benzeneboronic Acid [73852-19-4]

3,5-Bis(Trifluoromethyl)Benzenesulfonyl Chloride [39234-86-1]

3,5-Bis(Trifluoromethyl)Benzyl Alcohol [32707-89-4]

3,5-Bis(Trifluoromethyl)Benzyl Bromide [32247-96-4]

3,5-Bis(Trifluoromethyl)Benzyl Chloride [75462-59-8]

3,5-Bis(Trifluoromethyl)Benzylamine [85068-29-7]

3,5-Bis(Trifluoromethyl)Phenyl Acetophenone [85068-32-2]

3,5-Bis(Trifluoromethyl)Phenyl Isocyanate [16588-74-2]

3,5-Bis(Trifluoromethyl)Phenylacetic Acid[85068-33-3]

3,5-Bis(Trifluoromethyl)Phenylhydrazine[886-35-1]

3-[3,5-Bis(Trifluoromethyl)Phenyl]Acrylonitrile[175136-63-7]

4-(3,5-Bis(Trifluoromethyl)Phenyl-3-Thiosemicarbazide [38901-31-4]

Bis(mesitylene)ruthenium(II) tetrachloride

Chloro(mesitylene)[(R,R)-N-methylsulfonyl-1,2-diphenyl-1,2-ethanediamine]ruthenium(II)

Chloro(mesitylene)[(S,S)-N-methylsulfonyl-1,2-diphenyl-1,2-ethanediamine]ruthenium(II)

Dichloro(mesitylene)ruthenium(II) dimer, Ru 34.6%

Dichlorodi-^m-chlorobis(mesitylene)diruthenium(II)

Dichlorodi-µ-chlorobis(mesitylene)diruthenium(II)

Mesitylene, 97%, pure

Mesitylene, 98+%

Mesitylene, 99%, extra pure

MFCD00008538

MFCD00015319

MFCD11656079

MFCD16294974

MFCD16294980

Tricarbonyl(mesitylene)tungsten

[(R,R)-MsDPEN-Ru(mesitylene)Cl], Ru 18.5%

[(S,S)-MsDPEN-Ru(mesitylene)Cl], Ru 18.5%

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 2.17 -2.16 0 0 0 0 120.195 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 45 Acros Organics
Melting_Point 45? Alfa-Aesar
Melting_Point 45° Alfa-Aesar
BP [°C] 163 - 166 Acros Organics
Boiling_Point 163-165? Alfa-Aesar
Boiling_Point 163-165° Alfa-Aesar
BP 164 TCI
Melting_Point 165? dec. Alfa-Aesar
Melting_Point 165° dec. Alfa-Aesar
Melting_Point 250? dec. Alfa-Aesar
Melting_Point 250° dec. Alfa-Aesar
Purity 99% Fluorochem
Patent Database Links EP0770615; EP0835873; EP0860432; EP1334960; EP1674444; EP1878724; EP1916250; US2006189670; US2007197576; US2007232653; WO2005010028; WO2005037821; WO2005123684; WO2006012162 ChEBI
H phrase H226: Flammable liquid and vapor; H304: May be fatal if swallowed and enters airways; H315: Causes skin irritation Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and ea Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R37: Irritating to respiratory system.; 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 US5786218; US5830763 IBM Patent Data
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.