3-Cyclopentylpropionyl chloride (HCID 66039)

Names & identifiers

Preferred name: 3-Cyclopentylpropionyl chloride
IUPAC: 3-cyclopentylpropanoyl chloride
English name: Cyclopentylpropionyl chloride
Molecular formula: C8H13ClO
Molecular weight: 160.64

Names & synonyms

104-97-23-Cyclopentylpropionyl chlorideEINECS 203-257-9DTXSID00146210RefChem:500885DTXCID8068701203-257-93-cyclopentylpropanoyl chlorideCyclopentanepropionyl chlorideCyclopentylpropionyl chloride3-cyclopentylpropionylchloride3-Cyclopentyl propionyl chloride

Show more names

SKL1200AKOS BBS-00003910Cyelopentylpropionyl chlorideCyclopentanepropanoyl-chloride-3-Cyclopentanepropionyl chlorideCyclopentanepropionyl chloride 98%

CyclopentylpropionylchloridMFCD000013913-cyclopentanpropionyl chloride3-(cyclopentyl)propanoyl chlorideAKOS005720835F2190-00233-cyclopentyl propoyl chlorideCyclopentanepropionyl Chloride (8CI); 3-Cyclopentanepropionyl Chloride; 3-Cyclopentylpropanoyl Chloride; 3-Cyclopentylpropionic Acid Chloride; Cyclopentanepropanoyl Chloride

Database identifiers

CAS: 104-97-2
PubChem CID: 66039
DTXSID: DTXSID00146210
EC Number: 203-257-9
Nikkaji: J182.188A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 199 · 199-200 °C(lit.)
Density: 1.049 g/mL · 1.049 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.464(lit.)
Flash point: 184 °F · 184 °F
form: liquid
Sensitive: Moisture Sensitive
BRN: 1856952 · 1856952
InChI: InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2
InChIKey: SZQVEGOXJYTLLB-UHFFFAOYSA-N
SMILES: C1(CCC(Cl)=O)CCCC1
CAS DataBase Reference: 104 · 104-97-2(CAS DataBase Reference)
NIST Chemistry Reference: Cyclopentylpropionyl chloride(104-97-2)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H318-H314
Precautionary statements: 210 e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 · P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2914790090 · 2914790090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 19-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/22527

3-Cyclopentyl propionyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2914790090
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H227-H318-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Applications

UsesCyclopentanepropionyl chloride was used in the synthesis of 3-cyclopentylpropanamido)methylboronic acid.

Uses3-Cyclopentylpropionyl Chloride is an synthetic intermediate in the synthesis of new family of type 3 17β-Hydroxysteroid dehydrogenase inhibitors.

Upstream & downstream products

Downstream products

Testosterone cypionate HYDROCORTISONE CYPIONATE (200 MG)Nandrolone cypionate 4-(5-(3-Cyclopentylpropyl)thiophen-2-yl)butanoic acid Cyclopentanepentanoic acid, β-oxo-, ethyl ester

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

南京精维化工有限公司13270709979 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

杭州埃肯新材料有限公司15258847994

Related reactions

140 records

New reaction record

HRID 30301As reactantuspto-grants-2008_09

HRID 35374As reactantuspto-grants-1988_08

HRID 91320As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100236As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122545As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137032As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 140251As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 171153As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information