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3-Chloro-1-propanethiol

3-Chloro-1-propanethiol structure

CAS No:
17481-19-5
Formula:
C3H7ClS
Chemical Name:
3-Chloro-1-propanethiol
Synonyms:
1-Propanethiol,3-chloro-;3-Chloropropyl mercaptan;γ-Chloropropyl mercaptan;3-Chloro-1-propanethiol;3-Chloropropanethiol;NSC 64636;3-Chloropropan-1-thiol
Categories:
Chemical Reagents > Organic Reagents

Description

3-Chloro-1-propanethiol is a colorless liquid with a mild odor, a density slightly greater than water, and a flash point of 270 °F. It is a compound used as a nucleophile in organic synthesis. It acts as a sulfur-containing building block in the formation of various organic compounds, especially in the synthesis of intermediates and agrochemicals. The mechanism of action of 3-Chloro-1-propanethiol involves its ability to undergo substitution reactions with electrophiles such as alkyl halides and acyl chlorides to form thioethers and thioesters, respectively.

3-Chloro-1-propanethiol Basic Attributes

Molecular Weight：

110.61

Exact Mass：

110.61

EC Number：

241-496-0

NSC Number：

64636

DSSTox ID：

DTXSID20169901

HScode：

2930909090

Characteristics

PSA：

XLogP3：

1.54510

Density：

1.1280 g/cm³ @ Temp: 20 °C

Boiling Point：

145.0-145.5 °C @ Press: 751 Torr

Flash Point：

110 °F

Refractive Index：

n 20/D 1.4921(lit.)

Vapor Pressure：

5.02mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3336 3/PG 2

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Chloro-1-propanethiol Use and Manufacturing

3-Chloro-1-propanethiol is used in the manufacture of plastics, resins, and other chemicals. It also plays a role in the preparation of various compounds, helping to explore new materials and study structure-activity relationships in new product development. In addition, 3-Chloro-1-propanethiol is used for the passivation of quantum dots to enhance the performance of infrared bandgap quantum dot solar cells, allowing solar cells to show significantly improved efficiency and stability.

Computed Properties

Molecular Weight:110.61
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:109.9956991
Monoisotopic Mass:109.9956991
Topological Polar Surface Area:1
Heavy Atom Count:5
Complexity:16.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes