UCSF

ZINC00090931

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-iodobenzoic acid 2-iodobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 88-67-5 , [88-67-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.55 -0.03 -47.6 0 2 -1 40 247.011 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 160-162° Oakwood Chemical
Melting_Point 160-164? Alfa-Aesar
Melting_Point 160-164° Alfa-Aesar
Mp [°C] 161 - 163 Acros Organics
MP 162 TCI
MP 162 - 164 Enamine Building Blocks
MP 162-163° Matrix Scientific
MP 162...164 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
H phrase H318: Causes serious eye damage; H315: Causes skin irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT, LIGHT SENSITIVE Matrix Scientific
Warnings Irritant/Light Sensitive 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 R22: Harmful if swallowed.; R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. 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
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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