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)	1.52	0.87	-32.62	0	1	-1	23	167.028	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	7.35	-46.8	3	9	1	95	450.567	1	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Mp [°C]	4	Acros Organics
Melting_Point	40?	Alfa-Aesar
Melting_Point	40°	Alfa-Aesar
Melting_Point	4?	Alfa-Aesar
Melting_Point	4°	Alfa-Aesar
MP	6 - -4	Enamine Building Blocks
MP	6...-4	Enamine Building Blocks
BP	58	TCI
BP [°C]	59	Acros Organics
Boiling_Point	59-60?	Alfa-Aesar
Boiling_Point	59-60°	Alfa-Aesar
Boiling_Point	59?	Alfa-Aesar
Boiling_Point	59°	Alfa-Aesar
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	99%	Matrix Scientific
Hazard	C: Corrosive	Acros Organics
Warnings	Corrosive/Irritant	Matrix Scientific
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	H332: Harmful if inhaled	Acros Organics
H phrase	H332: Harmful if inhaled; H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H361d: Suspected of damaging the unborn child	Acros Organics
Warnings	IRRITANT, CORROSIVE	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/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
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 protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns.; R63: Possible risk of harm to the unborn child.	Acros Organics
R phrase	R20/22: Harmful by inhalation and if swallowed.	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	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
_Notes	UV absorption < 0.1nm between 200 - 400 nm	Apollo Scientific
Notes	Versatile intermediate, excellent solvent for polymers, hashigh polarity and low nucleophilicity. Ask for references.	Apollo Scientific
Hazard	XI: Irritant	Acros Organics

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34573597

Synonyms (28)
Vendors (33)
Annotations (13)
Representations (2)
Notes (34)
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Analogs (1)