| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 8 | Yes |
Popular Name: 1,2-Phenylenediamine 1,2-Phenylenediamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 615-28-1 , 694-83-7 , 74710-09-1 , 95-54-5 , N/A , [95-54-5]
1,2-Diaminobenzene; 2-Phenylene diamine; 95-54-5; C14402; o-Phenylenediamine
1,2-PhenylenediaMine Dihydrochloride
1,2-Phenylenediamine [for Biochemical Research]
O-Phenylenediamine dihydrochloride
o-Phenylenediamine dihydrochloride, 99+%
| 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) | 0.86 | 0.52 | -3.3 | 4 | 2 | 0 | 52 | 108.144 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 100 - 103 | Acros Organics |
| Melting_Point | 100-103? | Alfa-Aesar |
| Melting_Point | 100-103° | Alfa-Aesar |
| mp | 101 - 108 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 103 | TCI |
| BP | 256 | TCI |
| BP [°C] | 256 - 258 | Acros Organics |
| Boiling_Point | 256-258? | Alfa-Aesar |
| Boiling_Point | 256-258° | Alfa-Aesar |
| Mp [°C] | 258 | Acros Organics |
| MP | 258 - 260 | Enamine Building Blocks |
| MP | 258...260 | Enamine Building Blocks |
| BP | 284 | TCI |
| UniProt Database Links | 4CLL5_ARATH; 4CLL9_ARATH; AOC1_ARATH; AOC2_ARATH; AOC3_ARATH; AOC4_ARATH; GSTUJ_ARATH; OPR10_ORYSJ; OPR11_ORYSJ; OPR12_ORYSJ; OPR13_ORYSJ; OPR1_ARATH; OPR1_ORYSJ; OPR1_SOLLC; OPR2_ARATH; OPR2_ORYSJ; OPR3_ARATH; OPR3_ORYSJ; OPR3_SOLLC; OPR4_ORYSJ; OPR5_ORY | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP1422218; EP1514905; EP1634572; EP1650203; US2003036532; US2005005370; US2008115297; WO2005075459; WO2006003408; WO2006044754 | ChEBI |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H351: Suspected of causing cancer; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H332: Harmful if inhaled; H317: May cause an allergic skin reaction; H341: Suspected of causing genetic defects; H410: Ve | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H341: Suspected of causing genetic defects; H351: Suspected of causing cancer; H302: Harmful if swallowed; H411: Toxic to aquatic life with long lasting effects; H272: May intensify fire; oxidizer | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H351: Suspected of causing cancer; H341: Suspected of causing genetic defects; H360FD: May damage fertility. May damage the unborn child; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects; H410: Very toxic to aquatic life with long lasting effects; H317: May cause an allergic skin reaction; H301: Toxic if swallowed; H319: Causes serious eye irritation; H332: Harmful if inhaled; H351: Suspected of | Acros Organics |
| Hazard | O: Oxidizing | Acros Organics |
| Hazard | O: Oxidizing; XN: Harmful; N: Dangerous for the environment | Acros Organics |
| 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; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P280: Wear eye protection/face protecti | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P273: Avoid release to the envir | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P308 + P313: IF exposed or concerned: Get medical advice/attention; P304 + P340: IF INHALED: | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P273: Avoid release to the environment; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R36: Irritating to eyes.; R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact.; R50/53: Very toxic to aquatic organisms, may cause | Acros Organics |
| R phrase | R60: May impair fertility. | Acros Organics |
| R phrase | R60: May impair fertility.; R61: May cause harm to the unborn child.; R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact.; R68: Possible risks of irreversible effects.; R51/53: Toxic to aquatic organisms, may cau | Acros Organics |
| R phrase | R8: Contact with combustible material may cause fire. | Acros Organics |
| R phrase | R8: Contact with combustible material may cause fire.; R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in t | Acros Organics |
| S phrase | S17: Keep away from combustible material. | Acros Organics |
| S phrase | S17: Keep away from combustible material.; S24: Avoid contact with skin.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid r | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This mater | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advic | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.