UCSF

ZINC00153296

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 11 No

Popular Name: 2-(Trifluoromethyl)thiophenol 2-(Trifluoromethyl)thiophenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13333-97-6 , [13333-97-6]

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) 3.01 1.6 -43.42 0 0 -1 0 177.17 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 175-177? Alfa-Aesar
Boiling_Point 175-177° Alfa-Aesar
BP [°C] 50 - 52 (p=15 torr) Acros Organics
BP 50-52°/15mm Matrix Scientific
BP 64 / 10 TCI
Purity 97% Matrix Scientific
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled Acros Organics
Warnings IRRITANT, STENCH Matrix Scientific
Warnings Irritant/Stench Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. 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.