CAS 5891-21-4 2-Pentanone, 5-chloro- (HCID 79993)

Names & identifiers

Preferred name: 2-Pentanone, 5-chloro-
IUPAC: 5-chloropentan-2-one
English name: 5-Chloro-2-pentanone
Molecular formula: C5H9ClO
Molecular weight: 120.58

Names & synonyms

5-Chloro-2-pentanone5-Chloropentan-2-one5891-21-42-Pentanone, 5-chloro-1-Chloro-4-pentanone3-Chloropropyl methyl ketone2-Pentanone 5-chloro-NSC 8427EINECS 227-565-8NSC 60210AI3-08709DTXSID9064053

Show more names

oro-2-pentanoneChloro-2-pentan5-chloro -2-ketone5-chloro-2-pentanonChloropentanonetech-Chloro-2-pentanoneACETYLPROPYL CHLORIDE

XVRIEWDDMODMGA-UHFFFAOYSA-RefChem:477840DTXCID3042502227-565-8InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3MFCD000010085-chloro-pentan-2-oneNSC-8427

Database identifiers

CAS: 5891-21-4
PubChem CID: 79993
DTXSID: DTXSID9064053
UNII: V4XZG82VP5
EC Number: 227-565-8
Nikkaji: J24.223C

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 61.1

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 71 · 71-72 °C/20 mmHg (lit.)
Density: 1.057 g/mL · 1.057 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.438(lit.)
Flash point: 96 °F · 96 °F
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Soluble in chloroform and methanol.
form: Liquid
Specific Gravity: 1.057 · 1.057
color: Brown to black
BRN: 1098490 · 1098490
Stability: Volatile
InChI: InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N
SMILES: CC(=O)CCCCl
CAS DataBase Reference: 5891 · 5891-21-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 XZG82VP5 · V4XZG82VP5
NIST Chemistry Reference: 2 · 2-Pentanone, 5-chloro-(5891-21-4)
EPA Substance Registry System: 2 · 2-Pentanone, 5-chloro- (5891-21-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xn,F
Risk Statements: 36 · 36/37/38-22-10
Safety Statements: 23 · 23-24/25-37/39-26-16
RIDADR: 1224 · UN 1224 3/PG 3
WGK Germany: 3 · 3
RTECS: 8143500 · SA8143500
F: 8 · 8-10
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29147090 · 29147090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17385

5-Chloro-2-pentanone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (92.9%)

Safety data

F: 8-10
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: TSCA listed
rtecs: SA8143500
ridadr: UN 1224 3/PG 3
hs_code: 29147090
risk_code: 36/37/38-22-10
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,F
safety_code: 23-24/25-37/39-26-16
hazard_class: 3
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pentanone, 5-chloro-: ACTIVE

Applications · 2 items

Description5-Chloro-2-pentanone (5C2P) is an important organic reagent used as a pharmaceutical intermediate for the preparation of therapeutic anti-COVID-19 drugs. 5C2P is also used as a raw material for the synthesis of octamethol and related compounds. In chemical reactions, 5C2P can be cyclised with hydrazine. In conclusion, 5C2P and its derivatives have a wide range of applications in the pharmaceutical and agrochemical industries.

Uses5-Chloro-2-pentanone used in the preparation of destructible surfactants.