4-Chloro-2,5-xylenol

HCID 70756

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Basic information

CAS: 1124-06-7
Standard SMILES: Cc1cc(Cl)c(C)cc1O
InChIKey: MMRJLQJSFOSVAM-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.03419259

Names & identifiers

Preferred name: 4-Chloro-2,5-xylenol
IUPAC: 4-chloro-2,5-dimethylphenol
English name: 4-chloro-2,5-xylenol
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

4-Chloro-2,5-dimethylphenol1124-06-74-Chloro-2,5-xylenolEINECS 214-388-6DTXSID50150024NSC 60151RefChem:520861DTXCID5072515214-388-64-chloro-2,5-dimethyl-phenolPhenol,4-chloro-2,5-dimethyl-Phenol, 4-chloro-2,5-dimethyl-

Show more names

NSC-601512,5-Xylenol, 4-chloro-NSC601512,5-Dimethyl-4-chlorophenol7Y48B9N6TNSCHEMBL3754034SCHEMBL4062679BAA12406

Database identifiers

CAS: 1124-06-7
PubChem CID: 70756
DTXSID: DTXSID50150024
UNII: 7Y48B9N6TN
EC Number: 214-388-6
Nikkaji: J27.287F

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 74.5 °C · 74.5°C
Boiling point: 217.76 °C · 217.76°C (rough estimate)
Density: 1.095 · 1.0950 (rough estimate)
refractive index: 1.5523 · 1.5523 (estimate)
Water Solubility: 8.927 g/L · 8.927g/L(25 ºC)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H335-H318-H302
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H315-H335-H318-H302
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501