UCSF

ZINC00157538

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: o-Phenetidine o-Phenetidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5333-86-8 , 89808-01-5 , 94-70-2 , [94-70-2]

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) 1.80 2.71 -3.54 2 2 0 35 137.182 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 20 Acros Organics
BP [°C] 230 - 233 Acros Organics
BP 232 TCI
Purity 95% Fluorochem
H phrase H373: May cause damage to organs through prolonged or repeated exposure Acros Organics
H phrase H373: May cause damage to organs through prolonged or repeated exposure; H301: Toxic if swallowed; H331: Toxic if inhaled; H311: Toxic in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

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