4-Hydroxyxylidine

HCID 76542CAS 3096-69-3

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1c(N)ccc(O)c1C
InChIKey: UBKPLLYABUUFCE-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: 4-Hydroxyxylidine
IUPAC: 4-amino-2,3-dimethylphenol
English name: 4-AMINO-2,3-XYLENOL
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

4-hydroxyxylidineRefChem:5175424-Amino-2,3-dimethylphenol4-Amino-2,3-xylenol3096-69-3Phenol, 4-amino-2,3-dimethyl-MFCD000705544-Hydroxy-2,3-dimethylanilineNSC-1435494-Amino-2,3-dimethyl-phenol2,3-dimethyl-4-hydroxyanilineEINECS 221-446-4

Show more names

4-Amino-2,3-xylenol >4-AMINO-2,3-XYLENOL 97+%2,3-DIMETHYL-4-AMINOPHENOL4-azanyl-2,3-dimethyl-phenol4-Amino-2,3-dimethylphenol 4-Hydroxy-2,3-dimethylaniline

NSC1435494-amino-2.3-xylenolAAQ44BL4CU2,3-Xylenol, 4-amino-SCHEMBL5255072,3-dimethyl-4-amino phenolDTXSID70184947AKOS000345096

Database identifiers

CAS: 3096-69-3
PubChem CID: 76542
DTXSID: DTXSID70184947
UNII: AAQ44BL4CU
EC Number: 221-446-4
Nikkaji: J80.637D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 174 °C · 174°C
Boiling point: 296.3 · 296.3±28.0 °C(Predicted)
Density: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 10.7 · 10.70±0.23(Predicted)
color: White to Gray to Brown
CAS DataBase Reference: 3096 · 3096-69-3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2922.29 · 2922.29.8190

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2922.29.8190
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313