UCSF

ZINC03860184

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Substance Information

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

Popular Name: 2-Nitro-4-(trifluoromethyl)aniline 2-Nitro-4-(trifluoromethyl)aniline

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CAS Numbers: 400-98-6 , [400-98-6]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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 2.06 -7.02 2 4 0 72 206.123 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 105 - 106 Enamine Building Blocks
Mp [°C] 105 - 109 Acros Organics
MP 105-106° Matrix Scientific
Melting_Point 105-109? Alfa-Aesar
Melting_Point 105-109° Alfa-Aesar
MP 105...106 Enamine Building Blocks
MP 108 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H312: Harmful in contact with skin 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 S24/25: Avoid contact with skin and eyes. Acros Organics
Warnings Toxic Matrix Scientific
Hazard XN: Harmful Acros Organics

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