UCSF

ZINC00164525

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 4-(trifluoromethoxy)phenyl isocyanate 4-(trifluoromethoxy)phenyl isocy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1563-38-8 , 35037-73-1 , [35037-73-1]

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) 2.74 2.61 -2.53 0 3 0 39 203.119 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 29? Alfa-Aesar
Melting_Point 29° Alfa-Aesar
BP [°C] 78 (p=22 torr) Acros Organics
BP 78 / 22 TCI
Boiling_Point 78?/22mm Alfa-Aesar
Boiling_Point 78°/22mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0973775A1; WO1998043975A1 IBM Patent Data
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
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

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