CAS 18804-36-9 7-chlorohept-1-yne molecular structure

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CAS RN: 18804-36-9

7-chlorohept-1-yne

Product code: SSC-087456

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 0.1g, 0.25g, 1g, 5g
Available purity: ≥95%
Inventory rows with stock: 4
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18804-36-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	2 In Stock	Hong Kong	Inquiry
0.25g	≥95%	2 In Stock	Beijing	Inquiry
1g	≥95%	2 In Stock	Beijing	Inquiry
5g	≥95%	2 In Stock	Shanghai	Inquiry

18804-36-9 / 7-chlorohept-1-yne

Standard CAS: 18804-36-9 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

18804-36-9

Multi CAS

Molecular Formula

C7H11Cl

Molecular Weight

130.610000

Exact Mass

130.054928

SMILES

C#CCCCCCCl

InChI

InChI=1S/C7H11Cl/c1-2-3-4-5-6-7-8/h1H,3-7H2

InChIKey

JHURUSBTPUNQSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.71

Rotatable bonds

Molar refractivity

38.02

TPSA

0.0000

LogP / Solubility

WLOGP

2.42

MLOGP

2.12

XLogP3

2.6

Consensus LogP

2.38

Log S (ESOL)

-1.91

Class (ESOL)

Soluble

Log S (Ali)

-2.38

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.8

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Flammable Irritant

Signal

Warning

GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Applications of CAS 18804-36-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 18804-36-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.