Basic information
- CAS
63289-85-0- Standard SMILES
ClC1(Cl)CC1Sc1ccccc1- InChIKey
DIHSMJVOQUSOTO-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2S
- Average molar mass
- 219.13 g/mol
- Monoisotopic mass
- 217.97237662
Names & identifiers
- Preferred name
- 2,2-Dichlorocyclopropyl Phenyl Sulfide
- IUPAC
- (2,2-dichlorocyclopropyl)sulfanylbenzene
- English name
- 2,2-Dichlorocyclopropyl phenyl sulfide
- Molecular formula
- C9H8Cl2S
- Molecular weight
- 219.13
Names & synonyms
63289-85-02,2-Dichlorocyclopropyl Phenyl Sulfide(2,2-dichlorocyclopropyl)sulfanylbenzeneMFCD00800592[(2,2-dichlorocyclopropyl)sulfanyl]benzene(2,2-Dichlorocyclopropyl)phenylsulfane(2,2-dichlorocyclopropyl)(phenyl)sulfane1,1-dichloro-2-phenylthiocyclopropaneC9H8Cl2SDTXSID80369783DIHSMJVOQUSOTO-UHFFFAOYSA-NSBB016997
Show more names
2,2-Dichlorocyclopropylphenyl sulphide2,2-DichlorocyclopropylPhenylSulfide>(2,2-Dichlorocyclopropyl)(phenyl)sulfaneBenzene, [(2,2-dichlorocyclopropyl)thio]-2,2-dichlorocyclopropylphenyl sulfide, 98 %[(1S)-2,2-dichlorocyclopropyl]sulfanylbenzene
AKOS015840657SY050930DB-054450CS-0357120ST50405084
Database identifiers
- CAS
63289-85-0- PubChem CID
- 2733183
- DTXSID
DTXSID80369783- Nikkaji
- J2.639.147D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 28 °C · 28 °C
- Boiling point
- 100 °C · 100 °C
- Density
- 1.3 · 1.30
- refractive index
- 1.589 · 1.589-1.591
- storage temp.
- 0 · 0-6°C
- form
- powder to lump
- color
- Light yellow to Brown to Dark green
- FreezingPoint
- 22 to · 22.0 to 26.0 ℃
- InChI
- InChI=1S/C19H28BNO3/c1-17(2)18(3,4)24-20(23-17)16-7-5-15(6-8-16)19(9-10-19)21-11-13-22-14-12-21/h5-8H,9-14H2,1-4H3
- InChIKey
- DIHSMJVOQUSOTO-UHFFFAOYSA-N
- SMILES
- S(C2C(C2)(Cl)Cl)c1ccccc1
- CAS DataBase Reference
- 63289 · 63289-85-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · WGK 3
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2930.90.2900
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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