UCSF

ZINC02600068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 10 Yes

Popular Name: 1,2-Diamino-4,5-difluorobenzene 1,2-Diamino-4,5-difluorobenzene

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CAS Numbers: 123470-46-2 , 76179-40-3 , [76179-40-3]

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) 1.09 0.64 -5.9 4 2 0 52 144.124 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 126 - 130 Enamine Building Blocks
MP 127 - 129 Enamine Building Blocks
MP 127...129 Enamine Building Blocks
MP 129 - 131 Enamine Building Blocks
MP 129-134° Oakwood Chemical
MP 131-132° Matrix Scientific
MP 132 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 99% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
Warnings Irritant/Air Sensitive/Stored under Argon Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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.