4-Chloro-2-cyclohexylphenol

HCID 83120

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Basic information

CAS: 13081-17-9
Standard SMILES: Oc1ccc(Cl)cc1C1CCCCC1
InChIKey: XRUHXAQEOJDPEG-UHFFFAOYSA-N
Molecular formula: C12H15ClO
Average molar mass: 210.7 g/mol
Monoisotopic mass: 210.08114278

Names & identifiers

Preferred name: 4-Chloro-2-cyclohexylphenol
IUPAC: 4-chloro-2-cyclohexylphenol
English name: 4-CHLORO-2-CYCLOHEXYLPHENOL
Molecular formula: C12H15ClO
Molecular weight: 210.7

Names & synonyms

4-Chloro-2-cyclohexylphenol13081-17-92-Cyclohexyl-4-chlorophenolPhenol, 4-chloro-2-cyclohexyl-EINECS 235-988-4AI3-24605DTXSID00156753NSC 74762Phenol, 4(?)-chloro-2-cyclohexyl-RefChem:98355Phenol, 4chloro2cyclohexylDTXCID7079244

Show more names

1-Chloro-3-cyclohexyl-4-hydroxybenzene4-Chloro-2-cyclohexylphenol, tech., 95%

235-988-4XRUHXAQEOJDPEG-UHFFFAOYSA-NPhenol,4-chloro-2-cyclohexyl-MFCD000193374-chloro-2-cyclohexyl-phenolNSC-74762NSC747624-chloro-2-cyclohexyl phenol

Database identifiers

CAS: 13081-17-9
PubChem CID: 83120
DTXSID: DTXSID00156753
ChEMBL: CHEMBL3274802
UNII: L227T3PW4H
EC Number: 235-988-4
Nikkaji: J317.797A

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 177

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phenols

Physical DescriptionBrown crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 59 °C · 59 °C
Boiling point: 170 °C · 170 °C
Density: 1.163 · 1.163±0.06 g/cm3(Predicted)
pka: 9.83 · 9.83±0.43(Predicted)
form: powder
color: Pink
Symbol(GHS): 5 · GHS05,GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335-H413
Precautionary statements: 310 · P310-P260-P273-P280-P312
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2811 · UN2811
HazardClass: 6.1 · 6.1
HS Code: 2908190090 · 2908190090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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)

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.

Hazard information

Hazards SummaryAn irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

ridadr: UN2811
hs_code: 2908190090
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS07
safety_code: 26-36/37/39
hazard_class: 6.1
Hazard statements: H301-H315-H318-H335-H413
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P310-P260-P273-P280-P312