UCSF

ZINC00043864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -1.27 -1.31 -46.35 3 6 0 113 210.189 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 222 - 223 Acros Organics
Mp [°C] 236 - 237 Acros Organics
MP 236-237 °C (dec.)(lit.) Indofine
Melting_Point 236-237? dec Alfa-Aesar
Melting_Point 236-239? dec. Alfa-Aesar
Melting_Point 236-239° dec. Alfa-Aesar
MP 245 - 251 Enamine Building Blocks
MP 245...251 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Matrix Scientific
Purity 99% APIChem
Purity >99% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2005187164; US2007254831; US2008057127 ChEBI
Hazard XN: Harmful Acros Organics

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