UCSF

ZINC00388309

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 2-Chloro-5-methoxyaniline hydrochloride 2-Chloro-5-methoxyaniline hydroc…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2401-24-3 , 85006-21-9 , [2401-24-3] , [85006-21-9]

Download: MOL2 SDF SMILES Flexibase

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) 2.08 2.24 -3.52 2 2 0 35 157.6 1 ↓
Hi High (pH 8-9.5) 0.49 2.48 -4.85 1 2 0 33 157.6 1 ↓
Hi High (pH 8-9.5) 0.49 2.48 -4.85 1 2 0 33 157.6 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 135-137?/12mm Alfa-Aesar
Boiling_Point 135-137°/12mm Alfa-Aesar
MP 205 - 207 Enamine Building Blocks
MP 205...207 Enamine Building Blocks
MP 206 - 207 Enamine Building Blocks
Mp [°C] 207 Acros Organics
MP 207 - 207 Enamine Building Blocks
MP 207 - 209 Enamine Building Blocks
MP 207...209 Enamine Building Blocks
Melting_Point 27? Alfa-Aesar
Melting_Point 27° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
Purity 98% Fluorochem
Melting_Point ca 207? dec. Alfa-Aesar
Melting_Point ca 207° dec. Alfa-Aesar
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation Acros Organics
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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