Basic information
- CAS
4985-70-0- Standard SMILES
Clc1cccc2cc3ccccc3cc12- InChIKey
SRIHSAFSOOUEGL-UHFFFAOYSA-N- Molecular formula
- C14H9Cl
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.039278
Names & identifiers
- Preferred name
- 1-Chloroanthracene
- IUPAC
- 1-chloroanthracene
- English name
- 1-Chloroanthracene
- Molecular formula
- C14H9Cl
- Molecular weight
- 212.67
Names & synonyms
1-Chloroanthracene4985-70-0CCRIS 5548NSC 4218EINECS 225-641-5SRIHSAFSOOUEGL-UHFFFAOYSA-DTXSID40871110RefChem:431465Anthracene, 1chloro (8CI)Anthracene, 1-chloro-(8CI)DTXCID40818782Anthracene, 1chloro (8CI)(9CI)
Show more names
1-Chloroanthracene 95%
Anthracene, 1-chloro-(8CI)(9CI)225-641-5InChI=1/C14H9Cl/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9HAnthracene, 1-chloro-CHLOROANTHRACENE1-chloro-anthraceneNSC42181-Chloroanthracene, 95%
Database identifiers
- CAS
4985-70-0、50602-11-4- PubChem CID
- 39740
- DTXSID
DTXSID40871110- EC Number
- 225-641-5
- Nikkaji
- J3.069D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesAngular frequency
Physical DescriptionSolid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 77 · 77-80 °C (lit.)
- Boiling point
- 275.35 °C · 275.35°C (rough estimate)
- Density
- 1.171 g/mL · 1.171 g/mL at 25 °C (lit.)
- refractive index
- 1.6959 · 1.6959
- form
- solid
- InChI
- InChI=1S/C14H9Cl/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
- InChIKey
- SRIHSAFSOOUEGL-UHFFFAOYSA-N
- SMILES
- C1(Cl)=C2C(C=C3C(=C2)C=CC=C3)=CC=C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee POLYCYCLIC AROMATIC HYDROCARBONS.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Description1-Chloroanthracene forms photodimer trans-bi(1-chloro-9,10-dihydro-9,10-anthracenediyl) via the solid-state [4+4]-photodimerization.1-Chloroanthracene was used to investigate the effect of polycyclic aromatic hydrocarbons on gap junctional intercellular communication and activation of intracellular receptor kinase in F344 rat liver epithelial cells.
Uses1-Chloroanthracene was used to investigate the effect of polycyclic aromatic hydrocarbons on gap junctional intercellular communication and activation of intracellular receptor kinase in F344 rat liver epithelial cells.
General Description1-Chloroanthracene forms photodimer trans-bi(1-chloro-9,10-dihydro-9,10-anthracenediyl) via the solid-state [4+4]-photodimerization.
Suppliers23 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
郑州阿尔法化工有限公司13333829863 13333829863 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
6 records
Compound notes
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