CAS 6282-88-8 4-Chlorobenzenepropanol (HCID 221971)

Overview

3-(4-Chlorophenyl)propan-1-ol is an organochlorine compound.

Names & identifiers

Preferred name: 4-Chlorobenzenepropanol
IUPAC: 3-(4-chlorophenyl)propan-1-ol
English name: 3-(4-Chlorophenyl)propan-1-ol
Molecular formula: C9H11ClO
Molecular weight: 170.64

Names & synonyms

3-(4-chlorophenyl)propan-1-ol6282-88-83-(4-chlorophenyl)propanolBenzenepropanol, 4-chloro-3-(4-Chlorophenyl)-1-propanol4-Chlorobenzenepropanol3-(p-chlorophenyl)-1-propanolNSC-71067WMK84NW9D1-Propanol, 3-(p-chlorophenyl)-DTXSID40278382RefChem:521939

Show more names

Pitolisant Impurity 94-Chlorophenylpropanol3-(4-Chlorophenyl)propanol95%3-(4-Chlorophenyl)propanol 95%2-(1-oxoheptyl)indene-1,3-dione

DTXCID30229540809-317-63-(4'-chlorophenyl)propanolMFCD008311023-(4-Chloro-phenyl)-propan-1-olNSC7106UNII-7WMK84NW9D3-(4-Chloropenyl)propanol

Database identifiers

CAS: 6282-88-8
PubChem CID: 221971
DTXSID: DTXSID40278382
ChEBI: CHEBI:194639
UNII: 7WMK84NW9D
EC Number: 809-317-6
Nikkaji: J2.628.839H

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Boiling point: 104 °C · 104°C 0,1mm
Density: 1.151 · 1.151±0.06 g/cm3(Predicted)
refractive index: 1.54 · 1.54
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 15.03 · 15.03±0.10(Predicted)
color: Colorless to Yellow
InChI: InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey: ZHBIWFGGIKFSHZ-UHFFFAOYSA-N
SMILES: C1(CCCO)=CC=C(Cl)C=C1
CAS DataBase Reference: 6282 · 6282-88-8(CAS DataBase Reference)
FDA UNII: 7 WMK84NW9D · 7WMK84NW9D
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41
Safety Statements: 26 · 26-36/37/39-24/25-39
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2906290090 · 2906290090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Safety data

wgk: WGK 3
hs_code: 2906290090
risk_code: 36/37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-24/25-39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H319
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P337+P313

Chemistry & industry

Applications

Uses3-(4-Chlorophenyl)propan-1-ol is used in preparation of 2-Oxo-2H-chromene-3-carboxylic Acid Amide derivatives as Aldo-Keto reductase inhibitors.

Upstream & downstream products

Upstream raw materials

Benzeneethanol, 4-chloro-b-methyl-3-(4-chlorophenyl)prop-2-en-1-ol methyl (E)-3-(4-chlorophenyl)prop-2-enoate 3-(4-Chlorophenyl)propanoic acid Benzenepropanoic acid, 4-chloro-, Methyl ester 3-(4-CHLORO-PHENYL)-PROPIONIC ACID ETHYL ESTER Ethyl 4-chlorocinnamate 3-(4-CHLORO-PHENYL)-PROPIONALDEHYDE p-Chlorocinnamaldehyde Formic acid carbon monoxide Ethanol

Downstream products

3-(4'-CHLOROPHENYL)PROPYL CHLORIDE

Suppliers100 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

Additional notes

DefinitionChEBI: 3-(4-Chlorophenyl)propan-1-ol is an organochlorine compound.

Related reactions

22 records

New reaction record

HRID 166038As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 206167As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 282635As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 286099As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 465862As productuspto-grants-1992_10

HRID 465863As reactantuspto-grants-1992_10

HRID 486095As productuspto-grants-1994_03

HRID 486096As reactantuspto-grants-1994_03

Compound notes

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Basic information