Basic information
- CAS
65879-44-9- Standard SMILES
Cc1cc(N)cc(N)c1O.Cl- InChIKey
KFKLSCXTXRXTCC-UHFFFAOYSA-N- Molecular formula
- C7H11ClN2O
- Average molar mass
- 174.63 g/mol
- Monoisotopic mass
- 174.0559907
Names & identifiers
- Preferred name
- 2,4-Diamino-6-methylphenol hydrochloride
- IUPAC
- 2,4-diamino-6-methylphenol;hydrochloride
- English name
- 2,4-diamino-6-methylphenol hydrochloride
- Molecular formula
- C7H11ClN2O
- Molecular weight
- 174.62804
Names & synonyms
65879-44-92,4-DIAMINO-6-METHYLPHENOL HYDROCHLORIDEHSDB 62624,6-Diamino-o-cresol hydrochloride4,6-Diamino-2-methylphenol hydrochlorideEINECS 265-960-74,6-Diamino-2-methylphenol, hydrochlorideDTXSID50703654,6-DIAMINO-2-METHYLPHENOL HYDROCHLORIDE [HSDB]RefChem:822674,6Diaminoocresol hydrochlorideDTXCID3044673
Show more names
2,4-Diamino-6-methylphenol/hydrochloric acid,(1:x)
4,6Diamino2methylphenol hydrochloride4,6Diamino2methylphenol, hydrochloridePhenol, 2,4diamino6methyl, hydrochlorideKFKLSCXTXRXTCC-UHFFFAOYSA-NNSC3155484,6-Diamino-o-cresol dihydrochlorideNS000556262,4-Diamino-6-methylphenol--hydrogen chloride (1/1)
Database identifiers
- CAS
65879-44-9、81028-94-6- PubChem CID
- 47741
- DTXSID
DTXSID5070365- EC Number
- 265-960-7
Properties
Computed structural properties
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Phenols
Physicochemical properties
- FDA UNII
- 847 SY191W · C847SY191W
- EPA Substance Registry System
- 4 · 4,6-Diamino-o-cresol hydrochloride (65879-44-9)
- TSCA
- TSCA listed
- Hazardous Substances Data
- 65879 · 65879-44-9(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] See 2,4-Diamino-6-methylphenol.
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts
THE IP ADMIN OF 4,6-DIAMINO-O-CRESOL (33 MG/KG) OR 4,6-DIAMINO-2-SEC-BUTYLPHENOL (43 MG/KG) PRODUCED A LETHAL METHEMOGLOBINEMIA WITHIN 15-20 MINUTES. THE INTRARUMINAL ADMIN INDUCED A LESS DRAMATIC METHEMOGLOBINEMIA. HEMOLYSIS & ACUTE NEPHROSIS WERE OBSERVED IN A PROLONGED EXPERIMENT. APPARENTLY, THE DIAMINOPHENOL METABOLITES ARE RESPONSIBLE FOR THE METHEMOGLOBIN FORMATION IN DINITROPHENOL (DNOC OR DNBP) POISONINGS.
2-METHYL-4,6-DINITROPHENOL SHOWED HIGHER TOXICITY TO SHEEP THAN 2-(1-METHYLPROPYL)-4,6-DINITROPHENOL FOLLOWING ORAL ADMIN (70 MG/KG); HOWEVER, DYSPNEA & HYPERTHERMIA WERE CAUSED BY THEIR RESPECTIVE DIAMINO METABOLITES, 2-METHYL-4,6-DIAMINOPHENOL & 2-(1-METHYLPROPYL)-4,6-DIAMINOPHENOL. THE METABOLITES ALSO CAUSED METHEMOGLOBINEMIA, HYPOTHERMIA, & HEMOCONCENTRATION.
Safety data
- tsca
- TSCA listed
- Hazardous Substances Data
- 65879-44-9(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4-diamino-6-methyl-, hydrochloride (1:?): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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