4-Chloro-alpha-cyclopropylbenzenemethanol

HCID 86679

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 18228-43-8
Standard SMILES: OC(c1ccc(Cl)cc1)C1CC1
InChIKey: CLKPSDBTSRWVOQ-UHFFFAOYSA-N
Molecular formula: C10H11ClO
Average molar mass: 182.64 g/mol
Monoisotopic mass: 182.04984265

Names & identifiers

Preferred name: 4-Chloro-alpha-cyclopropylbenzenemethanol
IUPAC: (4-chlorophenyl)-cyclopropylmethanol
English name: 4-chloro-alpha-cyclopropylbenzyl alcohol
Molecular formula: C10H11ClO
Molecular weight: 182.65

Names & synonyms

4-Chloro-alpha-cyclopropylbenzenemethanolRefChem:52173018228-43-8(4-chlorophenyl)(cyclopropyl)methanol(4-chlorophenyl)-cyclopropylmethanol4-Chloro-alpha-cyclopropylbenzyl alcoholCyclopropyl (4-chlorophenyl)methanolBenzenemethanol, 4-chloro-alpha-cyclopropyl-MFCD00013731EINECS 242-107-7(4-chlorophenyl)-cyclopropyl-methanolQN338HXR95

Show more names

4-CHLOROPHENYL CYCLOPROPYL CARBINOL4-Chloro-α-cyclopropylbenzenemethanol4-Chloro-α-cyclopropylbenzenemethanolBenzenemethanol, 4-chloro-α-cyclopropyl-

SCHEMBL1349046CHEMBL2251576DTXSID30939556CLKPSDBTSRWVOQ-UHFFFAOYSA-NCyclopropyl-(4-chlorophenyl)methanol4-Chloro-a-cyclopropylbenzenemethanol4-Chloro-|A-cyclopropylbenzenemethanolAKOS009939703

Database identifiers

CAS: 18228-43-8
PubChem CID: 86679
DTXSID: DTXSID30939556
ChEMBL: CHEMBL2251576
UNII: QN338HXR95
EC Number: 242-107-7
Nikkaji: J266.065B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 148

Physicochemical properties

Boiling point: 289.1 · 289.1±15.0 °C(Predicted)
Density: 1.288 · 1.288±0.06 g/cm3(Predicted)
pka: 14.09 · 14.09±0.20(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H335-H318
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

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