Heptanoyl chloride

HeptanoyL · heptanoylchlorid · ENANTHYL CHLORIDE · ENANTHIC CHLORIDE · HEPTANOYL CHLORIDE · ENANTHOYL CHLORIDE · OENANTHIC CHLORIDE · n-hetanoyl chloride

https://huagongshe.com/en/chemical/17313

Identifiers & Physical Properties

CAS No.	2528-61-2
Molecular formula	C7H13ClO
Average molar mass	148.63 g/mol
Monoisotopic mass	148.06549272 g/mol
SMILES	CCCCCCC(=O)Cl
InChIKey	UCVODTZQZHMTPN-UHFFFAOYSA-N
PubChem CID	17313
EC No.	219-775-3
DTXSID	DTXSID8062496

Chemical & Physical Properties

XLogP	3.5
Topological polar surface area	17.1
Hydrogen bond donors	0
Hydrogen bond acceptors	1
Rotatable bonds	5
Heavy atoms	9
Formal charge	0
Complexity	81
Chemical classes	Toxic Gases & Vapors -> Acid Halides
SpringerMaterials Properties	Boiling point
Physical Description	Colorless to light yellow liquid with a pungent odor[Acros Organics MSDS]
Melting point	-84 °C
Boiling point	173 °C (lit.)
Density	0.96 g/mL at 25 °C (lit.)
Vapor pressure	1.18hPa at 20℃
Refractive index	n20/D 1.43(lit.)
Flash point	137 °F
Storage conditions	Inert atmosphere,Room Temperature
Solubility	soluble in ChloroformREACTS
Physical state	Liquid
Color	Clear colorless to light yellow
Sensitivity	Moisture Sensitive
BRN	605636
Stability	Moisture Sensitive
InChI	1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
InChIKey	UCVODTZQZHMTPN-UHFFFAOYSA-N
SMILES	CCCCCCC(Cl)=O
CAS DataBase Reference	2528-61-2(CAS DataBase Reference)
FDA UNII	Z2P33BJ4B5
NIST Chemistry Reference	Heptanoyl chloride(2528-61-2)
EPA Substance Registry System	Heptanoyl chloride (2528-61-2)
UNSPSC Code	12352100
NACRES	NA.22
GHS pictogram	GHS05,GHS06
Signal word	Danger
GHS hazard statements	H314-H330
GHS precautionary statements	P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Personal protective equipment (PPE)	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard symbols	T+,C
Risk statements (R)	26-34-37
Safety statements (S)	26-36/37/39-38-45-25
UN transport number	UN 2920 8/PG 2
Water hazard class (WGK)	1
F	9-21
TSCA inventory status	TSCA listed
Hazard class	8Acute Tox. 1 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
Packing group	II
Customs code	29159000
Storage class	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
REACH registrations	Active

Safety & Regulations

GHS classification	DangerH290 (68.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	Status: Active Update: 27-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13180
Hazards summary	Reacts with water evolving toxic gasCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsA lachrymatorHarmful by ingestion, inhalation, and skin absorption[Acros Organics MSDS]
Hazard Classes and Categories	Met. Corr. 1 (68.4%)
Adverse effects	Dermatotoxin - Skin burns.
F	9-21
Personal protective equipment (PPE)	Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Water hazard class (WGK)	1
TSCA inventory status	TSCA listed
UN transport number	UN 2920 8/PG 2
Customs code	29159000
Risk statements (R)	26-34-37
Signal word	Danger
GHS pictogram	GHS05,GHS06
Hazard symbols	T+,C
Safety statements (S)	26-36/37/39-38-45-25

Applications & Uses

Uses

Heptanoyl chloride was used in synthesis of 5α-dihydrotestosterone heptanoate and γ-ketoaldehyde. It was used in the preparation of ester-linked bilayer films.

Uses

Heptanoyl Chloride is used in the synthesis of novel class of 2-Aminopyrimidines as CDK1 and CDK2 inhibitors.

General Description

Heptanoyl chloride reacts with 2-ethylthiophene in the presence of stannic chloride to give 2-ethyl-5-heptanoylthiophene.