UCSF

ZINC04051098

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 10 Yes

Popular Name: 3,4-dihydro-2H-1,4-benzoxazine 3,4-dihydro-2H-1,4-benzoxazine

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CAS Numbers: 5735-53-5 , 98491-38-4 , [5735-53-5] , [98491-38-4]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.67 2.54 -5.03 1 2 0 21 135.166 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 85 (p=1 torr) Acros Organics
Boiling_Point 85?/1mm Alfa-Aesar
Boiling_Point 85°/1mm Alfa-Aesar
BP 88°/4mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
melting_point BP: (1mm Hg) 84 - 86 KeyOrganics
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; 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
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; 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% )