1,2-Dichloropropane - ≥99% , CAS No.78-87-5

CAS: 78-87-5 Cat. No.: D108187 Formula: C₃H₆Cl₂ Molecular Weight: 112.99 Beilstein Registry Number: 1718880 EC Number: 201-152-2

GRADE & PURITY ≥99%

Synonyms

Dwuchloropropan [Polish] | NCI-C55141 | 1,2-Dichloropropane 10000 microg/mL in Methanol | Q161478 | Bichlorure de propylene | EN300-120595 | Propane, 1,2-dichloro- | Propylene dichloride | PROPYLENE DICHLORIDE [MI] | 2,3-dichloropropane | alpha,beta-Propy

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Dwuchloropropan [Polish] | NCI-C55141 | 1,2-Dichloropropane 10000 microg/mL in Methanol | Q161478 | Bichlorure de propylene | EN300-120595 | Propane, 1,2-dichloro- | Propylene dichloride | PROPYLENE DICHLORIDE [MI] | 2,3-dichloropropane | alpha,beta-Propy

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751123
• Canonical Smiles: CC(CCl)Cl
• IUPAC Name: 1,2-dichloropropane
• InChIKey: KNKRKFALVUDBJE-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
• Isomeric SMILES: CC(CCl)Cl
• WGK Germany: 3
• RTECS: TX9625000
• UN Number: 1279
• Packing Group: II
• Molecular Weight: 112.99
• Beilstein: 1718880
• Reaxy-Rn: 1718880
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718880&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• External Descriptors: Fumigants

Data sources

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(non-human)

Aspergillus nidulans (364 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically Insoluble; Degree of Solubility in water: 2.6 g/l 20 °C; Soluble in Ether,Benzene,Chloroform,Alcohol
• x_refractive_index: 1.439
• x_flash_point_drop_centigrade: （open cup）21℃
• x_boil_point_char: 96°C
• x_melt_point_char: -100°C
• Molecular Weight: 112.980 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 111.985 Da
• Monoisotopic Mass: 111.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 20.900
• 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

References

1. Wei Wang, Zhensheng Shen, Jiaxiang Zhang, Lun Pan, Chengxiang Shi, Xiangwen Zhang, Ji-Jun Zou.  (2023)  Synthesis and Performance of Cyclopentadiene-Based Spirocyclopropane High-Energy-Density Fuels.  FUEL,      [PMID:] [10.1016/j.fuel.2023.129380]

2. Maogen Zhu, Zhechen Fan, Kangli Xu, Yuting Fang, Wei Sun, Yongchun Zhu.  (2022)  An Oxygen-Resistant and Self-Eliminating Passivated Layer for Highly Stable Lithium Metal Batteries.  ADVANCED FUNCTIONAL MATERIALS,  32  (21): (2112645).  [PMID:] [10.1002/adfm.202112645]

3. Ma Baochen, Zhang Haikuo, Li Ruhong, Zhang Shuoqing, Chen Long, Zhou Tao, Wang Jinze, Zhang Ruixin, Ding Shouhong, Xiao Xuezhang, Deng Tao, Chen Lixin, Fan Xiulin.  (2024)  Molecular-docking electrolytes enable high-voltage lithium battery chemistries.  Nature Chemistry,      [PMID:39009795] [10.1038/s41557-024-01585-y]

4. Yingpeng Gu, Yue Sun.  (2024)  Quaternary phosphonium strong based anion exchangers for the selective adsorption of nitrate.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149650]

5. Kexin Hao, Ying Xue, Bo Li, Huijing Liu, Guodong Shen, Hailiang Wu, Yijun Yao.  (2025)  Cellulose-keratin polymer based on “thiol-ene” click reaction and ease-to-process performance.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40220817] [10.1016/j.ijbiomac.2025.142920]

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 78-87-5, the molecular formula is C3H6Cl2, and the molecular weight is 112.99 g/mol. InChIKey KNKRKFALVUDBJE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.