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)	0.28	1.23	-36.73	2	2	1	20	127.211	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.28	-0.1	-1.86	1	2	0	15	126.203	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	175-176°	Matrix Scientific
Boiling_Point	180-182?	Alfa-Aesar
Boiling_Point	180-182°	Alfa-Aesar
BP [°C]	181 - 182	Acros Organics
BP	95-97°/14mm	Oakwood Chemical
Purity	97%	Fluorochem
Hazard	C: Corrosive	Acros Organics
PUBCHEM_PATENT_ID	EP0670831A1; WO1995009159A1	IBM Patent Data
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H302: Harmful if swallowed; H318: Causes serious eye damage; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H226: Flammable liquid and vapor	Acros Organics
Warnings	IRRITANT	Matrix Scientific
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	R10: Flammable.	Acros Organics
R phrase	R10: Flammable.; R20: Harmful by inhalation.; R34: Causes burns.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.; 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.; S45: In case of accid	Acros Organics
PUBCHEM_PATENT_ID	US4045229; USRE30303	IBM Patent Data