CAS 5259-98-3 5-Chloro-1-pentanol (HCID 78915)

Overview

a halogenated alcohol

Names & identifiers

Preferred name: 5-Chloro-1-pentanol
IUPAC: 5-chloropentan-1-ol
English name: 5-Chloropentanol
Molecular formula: C5H11ClO
Molecular weight: 122.59

Names & synonyms

5-Chloro-1-pentanol5259-98-35-ChloropentanolPentamethylene chlorohydrin1-Pentanol, 5-chloro-55VP4W35EGNSC-1107DTXSID9063744RefChem:102395DTXCID6041216226-067-85-Chloropentan-1-ol

Show more names

5-ChloroChloropentanoloro-1-pentanoL5-chloro-1-pentano1-CHLORO-5-PENTANOL5-CHLOROPENTANE-1-OLApixaban Impurity 75

MFCD000395561-CHLORO-5-HYDROXYPENTANEUNII-55VP4W35EG5-chloro-pentan-1-olSCHEMBL45760DCBJCKDOZLTTDW-UHFFFAOYSA-NSC11075-?Chloro-?1-?pentanol

Database identifiers

CAS: 5259-98-3
PubChem CID: 78915
DTXSID: DTXSID9063744
UNII: 55VP4W35EG
EC Number: 226-067-8
Nikkaji: J149.468F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 31.3

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 107 °C · 107 °C
Density: 1 · 1,06 g/cm3
refractive index: 1.454 · 1.454
Flash point: 102 · 102-103°C/8mm
storage temp.: 2 · Sealed in dry,2-8°C
solubility: DMSO, Methanol (Sparingly)
form: Oil
pka: 15.12 · 15.12±0.10(Predicted)
Specific Gravity: 1.06 · 1.06
color: Clear Colourless
Water Solubility: Slightly soluble in water.
BRN: 1732314 · 1732314
InChIKey: DCBJCKDOZLTTDW-UHFFFAOYSA-N
CAS DataBase Reference: 5259 · 5259-98-3(CAS DataBase Reference)
FDA UNII: 55 VP4W35EG · 55VP4W35EG
EPA Substance Registry System: 1 · 1-Pentanol, 5-chloro- (5259-98-3)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H335-H227-H302+H312+H332-H315-H319
Precautionary statements: 210 · P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 22 · 22-36/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant/Harmful
TSCA: TSCA listed
PackingGroup: III
HS Code: 2905190098 · 2905190098

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2905190098
risk_code: 22-36/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi
hazard_note: Irritant/Harmful
safety_code: 26-36/37/39
packing_group: III
Hazard statements: H301-H335-H227-H302+H312+H332-H315-H319
Precautionary statements: P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Pentanol, 5-chloro-: ACTIVE

Applications

Uses5-Chloro-1-pentanol is used to produce 6-hydroxy-hexanenitrile at temperature of 90 - 100°C. It is also is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.