UCSF

ZINC00403484

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 3-Bromo-2-methylaniline 3-Bromo-2-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16822-92-7 , 55289-36-6 , [16822-92-7] , [55289-36-6]

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) 2.58 -1.09 -2.95 2 1 0 26 186.052 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 248 Acros Organics
Boiling_Point 253-255? Alfa-Aesar
Boiling_Point 253-255° Alfa-Aesar
BP 255 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
Warnings Toxic/Light Sensitive Matrix Scientific

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