CAS 53222-92-7 2-Amino-o-cresol (HCID 104448)

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Basic information

CAS: 53222-92-7
Standard SMILES: Cc1c(N)cccc1O
InChIKey: FLROJJGKUKLCAE-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Names & identifiers

Preferred name: 2-Amino-o-cresol
IUPAC: 3-amino-2-methylphenol
English name: 3-Amino-2-methylphenol
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

3-Amino-2-methylphenol53222-92-72-Amino-o-cresol3A2MPEINECS 258-438-5DTXSID50201323RefChem:465073DTXCID50123814258-438-53-Amino-o-cresolPhenol, 3-amino-2-methyl-MFCD00007787

Show more names

3-Amino-o-cresol>3-Amino-o-cresol,95%2-methyl-3aminophenol2-Amino-6-hydroxytoluene

3-Hydroxy-2-methylanilineaminokresol2-Methyl-3-aminophenol2-methyl-3-amino-phenol3-amino-2-methyl phenolAKOS009157938CS-W0044183-amino-2-methyl-phenol

Database identifiers

CAS: 53222-92-7
PubChem CID: 104448
DTXSID: DTXSID50201323
EC Number: 258-438-5
Nikkaji: J236.335F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 129 · 129-130 °C(lit.)
Boiling point: 229.26 °C · 229.26°C (rough estimate)
Density: 1.0877 · 1.0877 (rough estimate)
refractive index: 1.538 · 1.5380 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
pka: 10.36 · 10.36±0.10(Predicted)
form: Solid
color: White to Gray to Brown
InChI: InChI=1S/C7H9NO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,8H2,1H3
InChIKey: FLROJJGKUKLCAE-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC(N)=C1C
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.