UCSF

ZINC00586297

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 No

Popular Name: 3-Chloro-4-methoxybenzaldehyde 3-Chloro-4-methoxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 07/09/03 , 4903-09-7 , 4903-9-7 , 9/7/4903 12:00:00 AM , [4903-09-7]

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) 2.39 1.55 -6.81 0 2 0 26 170.595 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 128 (p=5 torr) Acros Organics
BP 128°/5 Torr Matrix Scientific
MP 53° Matrix Scientific
Mp [°C] 54 - 56 Acros Organics
MP 56 - 58 Enamine Building Blocks
MP 56...58 Enamine Building Blocks
melting_point 57 - 59 KeyOrganics
MP 58 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
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
Warnings IRRITANT 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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 XI: Irritant Acros Organics

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