UCSF

ZINC00133574

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) -0.44 4.49 -45.34 1 3 -1 52 162.168 1

Vendor Notes

Note Type Comments Provided By
MP 166 - 168 Enamine Building Blocks
MP 166...168 Enamine Building Blocks
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
Mp [°C] 177 Acros Organics
MP 177° Oakwood Chemical
MP 178-180° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Melting_Point ca 168? dec. Alfa-Aesar
Melting_Point ca 168° dec. Alfa-Aesar
Melting_Point ca 177? dec. Alfa-Aesar
Melting_Point ca 177° dec. Alfa-Aesar
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H373: May cause damage to organs through prolonged or repeated exposure; H361f: Suspected of damaging fertility 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minute Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P281: Use personal protective equipment as required; P260: Do not breathe dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R43: May cause sensitisation by skin contact. Acros Organics
R phrase R43: May cause sensitisation by skin contact.; R48/22: Harmful : danger of serious damage to health by prolonged exposure if swallowed.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S25: Avoid contact with eyes.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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