| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 12 | Yes |
Popular Name: 1H-indole-6-carboxylic acid 1H-indole-6-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1670-81-1 , 1670-82-2 , N/A , [1670-82-2]
"Indole-6-carboxylic acid, 98%"
Indole-6-Carboxylic Acid [1670-82-2]
Indole-6-carboxylic acid, 98+%
| 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) | 2.05 | 5.07 | -52.62 | 1 | 3 | -1 | 56 | 160.152 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 248 - 254 | Acros Organics |
| MP | 249-253 °C(lit.) | Indofine |
| MP | 249-253° | Oakwood Chemical |
| MP | 250-252o C | Indofine |
| MP | 256-259° | Matrix Scientific |
| MP | 257 | TCI |
| MP | 257 - 259 | Enamine Building Blocks |
| MP | 257...259 | Enamine Building Blocks |
| MP | 258 - 259 | Enamine Building Blocks |
| MP | 259 - 259 | Enamine Building Blocks |
| MP | 259 - 261 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Melting_Point | ca 258? dec. | Alfa-Aesar |
| Melting_Point | ca 258° dec. | Alfa-Aesar |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin | Acros Organics |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| 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 |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful 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 |
| SOLUBILITY | Soluble in Methanol | Indofine |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.