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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.99	-2.56	-40.58	3	3	1	40	131.199	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.99	-1.55	-29.1	3	3	1	37	131.199	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	38.5	Acros Organics
Melting_Point	39?	Alfa-Aesar
Melting_Point	39°	Alfa-Aesar
Boiling_Point	242-246?	Alfa-Aesar
BP	242-246°	Oakwood Chemical
BP [°C]	245 - 246	Acros Organics
BP	246	TCI
Purity	95+%	Matrix Scientific
Purity	97%	Fluorochem
H phrase	H314: Causes severe skin burns and eye damage	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage	Acros Organics
Warnings	IRRITANT	Matrix Scientific
melting_point	Oil	KeyOrganics
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting	Acros Organics
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r	Acros Organics
R phrase	R38: Irritating to skin.	Acros Organics
R phrase	R38: Irritating to skin.; R41: Risk of serious damage to eyes.	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