UCSF

ZINC00967532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 6 Yes

Popular Name: Benzene Benzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1076-43-3 , 109037-76-5 , 110-82-7 , 1271-54-1 , 1684-47-5 , 37366-09-9 , 531-85-1 , 536-74-3 , 71-43-2 , 7291-22-7 , 92-87-5 , 98-36-2 , 98-42-0 , 98-66-8 , 98-71-5 , Dichloro(benzene)ruthenium(II) dimer

Other Names:

"Bis(benzene)chromium(0), 97%"

(6)annulene; :benzene; AI3-00808; Benzeen [Dutch]; Benzen [Polish]; Benzene; Benzene (including benzene from gasoline); Benzene [UN1114] [Flammable liquid]; Benzene, pure; Benzin; Benzin (Obs.); Benzine (Obs.); Benzol; Benzol 90; Benzol diluent; Benzole

(6)Annulene;Annulene;Aromatic alkane;Benzeen;Benzen;Benzene;Benzin;Benzine;Benzinum;Benzol;Benzol 90;Benzole;Benzolene;Benzolo;Benzolum;Bicarburet of hydrogen;BNZ;Carbon oil;Coal naphtha;Cyclohexatriene;Fenzen;Mineral naphtha;Motor benzol;Phene;Phenyl hyd

153MSA; FM 50; FMS; Formaldehyde, polymer with phenol and urea; Formaldehyde-phenol-urea copolymer; Formaldehyde-phenol-urea polymer; Formaldehyde-phenol-urea resin; GP 541053; HRJ 11761; HRJ 12667; KFF-L; Kauresin 266; LS-104670; PCN 4; PCN 4 (polymer)

71-43-2; benzene; benzol; benzole

71-43-2; Benzene; C01407

ammonia; benzene; hydrogen sulfite; hydrochloride

ammonia; benzene; hydrogen sulfite; methanol

Benzen; Benzine; Benzol; Bicarburet of hydrogen; Coal naphtha; Mineral naphtha; Phene; Pyrobenzol; Pyrobenzole; [6]annulene; benzene; benzole; cyclohexatriene; phenyl hydride

Benzene (1mg/ml in Methanol) [for Water Analysis]

Benzene D6 >99.5%

Benzene D6 >99.6%

Benzene [for Spectrophotometry]

Benzene [Sequenation Solvent]

Benzene, 99%

Benzene, ACS

Benzene, ACS, 99.0% min

Benzene, anhydrous, 99.8%, packaged under Argon in resealable ChemSeal^t bottles

Benzene, chlorine, and sulfur monochloride reaction products; Benzene, reaction products with chlorine and sulfur chloride (S2Cl2), chlorides; LS-31178; Triaryl sulfonium chloride salts

Benzene, HPLC Grade

Benzene, HPLC Grade, 99.5%

Benzene, Spectrophotometric Grade

Benzene, Spectrophotometric Grade, 99.5+%

Benzene-1,3,5-d3

BENZENE-D6

Benzene-d6, 100% (Isotopic)

Benzene-d6, 99.5% (Isotopic)

benzene; benzol; benzole

benzene; hydrazine; hydrogen sulfite

benzene; hydrogen sulfite; hydrochloride

Benzeneruthenium(ii) chloride dimer

Benzeneruthenium(II) chloride, dimer

Benzeneruthenium(II) chloride, dimer, 97%

Benzidine

Benzidine dihydrochloride

Bis(benzene)chromium iodide; Bis(benzene)chromium(1+) iodide; Bis(eta(sup 6)-benzene)chromium(1+) iodide; Chromium (III), diphenyl-, iodide; Chromium(1+), bis(benzene)-, iodide; Chromium(1+), bis(eta(sup 6)-benzene)-, iodide; Chromium, bis(benzene)iodo-

CHEBI:41187; CHEBI:3025; CHEBI:13876; CHEBI:22703

Chromium dibenzene

Cyclohexane

Dibenzenechromium, C 69.2%, H 5.8%

Dichloro(benzene)Ru(II) dimer

Dichloro(benzene)ruthenium(II) dimer

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

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

EINECS 271-738-0; Hydrocarbons, C5 and C10-aliph. and C6-8-arom; LS-195639; Polyalkylatedbenzene mix

Ethynylbenzene

MFCD00003009

MFCD00003010

MFCD00008570

MFCD00015485

MFCD00044639

MFCD00064686

MFCD01939421

MFCD03939176

N/A

Phenylacetylene

Pyridine-d5

Pyridine-d5, 99.5% (Isotopic)

Triaryl sulfonium chloride salts

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) 1.94 4.49 -1.8 0 0 0 0 78.114 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 42? Alfa-Aesar
Melting_Point 42° Alfa-Aesar
Boiling_Point 115? Alfa-Aesar
Boiling_Point 115° Alfa-Aesar
Melting_Point 250? dec. Alfa-Aesar
Melting_Point 250° dec. Alfa-Aesar
Melting_Point 260-265? Alfa-Aesar
Melting_Point 260-265° Alfa-Aesar
Melting_Point 5? Alfa-Aesar
Melting_Point 5° Alfa-Aesar
Melting_Point 6.8? Alfa-Aesar
Melting_Point 6.8° Alfa-Aesar
Boiling_Point 79.1? Alfa-Aesar
Boiling_Point 79.1° Alfa-Aesar
BP 80 TCI
Boiling_Point 80? Alfa-Aesar
Boiling_Point 80° Alfa-Aesar
Purity >99.5% Fluorochem
UniProt Database Links AK1C1_HUMAN; AK1C2_HUMAN; AK1C4_MACFU; CHQB_NOCSI; DHDH_CANFA; DHDH_MACFU; DHDH_PIG; EFE_PSESH; LINE_SPHPI; NPCC_RHOOP; PCPB_SPHCR; TMOS_PSEME; TODS_PSEPT ChEBI
Patent Database Links EP0774463; EP0778273; EP0780363; EP0780391; EP0781775; EP0784051; EP0787718; EP0787733; EP0791597; EP0791849; EP0796845; EP0805190; EP0807632; EP0812845; EP0818445; EP0818446; EP0828183; EP0837063; EP0854382; EP0855390; EP0856515; EP0860432; EP0867434; EP ChEBI
Reactome Database Links REACT_228 ChEBI
PUBCHEM_PATENT_ID US3966720 IBM Patent Data
PUBCHEM_PATENT_ID WO1995006476A1 IBM Patent Data

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
CYP2E1 reactions

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

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