UCSF

ZINC01627243

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 4-Bromoisopropylbenzene 4-Bromoisopropylbenzene

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CAS Numbers: 586-61-8 , [586-61-8]

Download: MOL2 SDF SMILES Flexibase

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) 4.26 7.04 -1.6 0 0 0 0 199.091 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 12? Alfa-Aesar
Melting_Point 12° Alfa-Aesar
MP 22 TCI
BP 219 TCI
Boiling_Point 219? Alfa-Aesar
Boiling_Point 219° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
BP 95-96°/12mm Matrix Scientific
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0047412A1; EP1013653A2; EP1013655A2; EP1013656A2; EP1013657A2; US3971747; US4008261; US4082719; US4409220; US4486433; US6013753; US6160150; USRE31543 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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