UCSF

ZINC01482005

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 8 Yes

Popular Name: Chlorobutanol Chlorobutanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1320-66-7 , 57-15-8 , 6001-64-5 , [2492-87-7] , [57-15-8] , [6001-64-5]

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) 2.34 1.79 -3.16 1 1 0 20 177.458 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 167? Alfa-Aesar
Boiling_Point 167° Alfa-Aesar
BP [°C] 173 - 175 Acros Organics
Mp [°C] 75 - 79 Acros Organics
MP 77 - 79 Enamine Building Blocks
MP 77...79 Enamine Building Blocks
MP 78 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point 98-100?(anhy) Alfa-Aesar
Melting_Point 98-100°(anhy) Alfa-Aesar
Therapy antimicrobial SMDC Iconix
H phrase H302: Harmful if swallowed Acros Organics
H phrase H335: May cause respiratory irritation 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+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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