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Chloropropanol - 70%, high purity , CAS No.127-00-4

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Chloropropanol - 70%, high purity , CAS No.127-00-4

1 Citations

COA

Grade & Purity:

≥70%

Cas Number: 127-00-4
Molecular Weight: 94.54
Beilstein Registry Number: 773653
EC Number: 204-819-6
MDL number: MFCD00004530
PubChem CID: 31370

In stock

Item Number

C113556

Grouped product items
SKU	Size	Availability	Price
C113556-5g	5g	3	$9.90
C113556-25g	25g	1	$29.90
C113556-100g	100g	3	$99.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	Chloropropanol, Propylene chlorohydrin \| PROPYLCHLOROHYDRIN \| 1-Chloro-propan-2-ol \| 1-Chloropropan-2-ol \| FT-0650632 \| MFCD01862132 \| 1-Chloro-2-propanol \| 1-chloro2-propanol \| .alpha.-Propylene chlorohydrin \| EINECS 269-076-2 \| EN300-39011 \| FT-0650633
Specifications & Purity	≥70%
Shipped In	Normal
Product Description	1-Chloro-2-propanol is formed as an intermediate during the degradation of meso-bis-(1-chloro-2-propyl)ether by Rhodococcus sp. strain DTB.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Halohydrins
    - Subclass Chlorohydrins

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Halohydrins
Subclass	Chlorohydrins
Intermediate Tree Nodes	Not available
Direct Parent	Chlorohydrins
Alternative Parents	Secondary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
External Descriptors	secondary alcohol - organochlorine compound
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-chloropropan-2-ol
INCHI	InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey	YYTSGNJTASLUOY-UHFFFAOYSA-N
Smiles	CC(CCl)O
Isomeric SMILES	CC(CCl)O
WGK Germany	3
RTECS	UA8942000
UN Number	2611
Packing Group	II
Molecular Weight	94.54
Beilstein	773653
Reaxy-Rn	773653
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773653&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number	Certificate Type	Date	Item
G2116116	Certificate of Analysis	Apr 03, 2025	C113556
G2116117	Certificate of Analysis	Apr 03, 2025	C113556
D2501164	Certificate of Analysis	Apr 25, 2024	C113556
D2403168	Certificate of Analysis	Mar 12, 2024	C113556
D2403141	Certificate of Analysis	Mar 12, 2024	C113556
D2403169	Certificate of Analysis	Mar 12, 2024	C113556
G2322197	Certificate of Analysis	Nov 14, 2022	C113556
G2322203	Certificate of Analysis	Nov 14, 2022	C113556
G2322206	Certificate of Analysis	Nov 14, 2022	C113556
H2211005	Certificate of Analysis	Jun 29, 2022	C113556
H2209216	Certificate of Analysis	Jun 29, 2022	C113556
F2216254	Certificate of Analysis	May 26, 2022	C113556
F2216253	Certificate of Analysis	May 26, 2022	C113556
F2216255	Certificate of Analysis	May 26, 2022	C113556

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Chemical and Physical Properties

Solubility	Soluble in water; Soluble in Alcohol,Ethanol,Ether
Refractive Index	1.439-1.441
Flash Point(°F)	125.6 °F
Flash Point(°C)	51℃
Boil Point(°C)	126-127°C
Molecular Weight	94.540 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	94.0185 Da
Monoisotopic Mass	94.0185 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	22.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Song Zou, Guichun He, Xinyang Yu, Hong Zhong. (2024) Three novel dithiocarbamate surfactants: Synthesis, DFT calculation and flotation mechanism to chalcopyrite. JOURNAL OF MOLECULAR LIQUIDS, 413 (125993).

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