UCSF

ZINC03861425

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 No

Popular Name: 2-Amino-5-nitrobenzotrifluoride 2-Amino-5-nitrobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1/7/121 , 121-01-7 , [121-01-7]

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) 2.20 1.98 -7.74 2 4 0 72 206.123 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
Mp [°C] 90 - 93 Acros Organics
MP 90-92° Matrix Scientific
Melting_Point 90-93? Alfa-Aesar
Melting_Point 90-93° Alfa-Aesar
MP 90...92 Enamine Building Blocks
MP 91 TCI
purity 95 Enamine Building Blocks
Purity 97% APIChem
Purity 98% Matrix Scientific
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT 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

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