Basic information
- Standard SMILES
ClCc1ccc(Cl)s1- InChIKey
MQTKXCOGYOYAMW-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2S
- Average molar mass
- 167.06 g/mol
- Monoisotopic mass
- 165.94107649
Names & identifiers
- Preferred name
- 2-Chloro-5-(chloromethyl)thiophene
- IUPAC
- 2-chloro-5-(chloromethyl)thiophene
- English name
- 2-Chloro-5-chloromethylthiophene
- Molecular formula
- C5H4Cl2S
- Molecular weight
- 167.06
Names & synonyms
2-Chloro-5-(chloromethyl)thiophene23784-96-5DTXSID00342578RefChem:469199DTXCID60293658623-208-92-Chloro-5-chloromethylthiopheneMFCD000097645-chloro-2-thenyl chloride2-chloro-5-chloromethyl-thiophene2-chloro-5-(chloromethyl)-thiopheneAC-9504
Show more names
CAS#23784-96-52-CHLORO-5-CHLOROMETHYLTHIOPHENE 98+%2-Chloro-5-(chloromethyl)thiophene,97%
F8880-3932Thiophene, 2-chloro-5-(chloromethyl)-5-chloro-2-(chloromethyl)thiophene5-Chlor-2-thenyl-chloridBIDD:GT0453SCHEMBL1902052-chloro-5-chloromethylthiophen5-chloromethyl-2-chlorothiphene
Database identifiers
- CAS
23784-96-5- PubChem CID
- 583079
- DTXSID
DTXSID00342578- EC Number
- 623-208-9
- Nikkaji
- J151.108D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Boiling point
- 83 · 83-85 °C8 mm Hg(lit.)
- Density
- 1.385 g/mL · 1.385 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.575(lit.)
- Flash point
- 213 °F · 213 °F
- storage temp.
- -20 °C · -20°C
- form
- Liquid
- color
- Colorless to brown
- InChI
- 1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
- InChIKey
- MQTKXCOGYOYAMW-UHFFFAOYSA-N
- SMILES
- ClCc1ccc(Cl)s1
- CAS DataBase Reference
- 23784 · 23784-96-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-5-(chloromethyl)thiophene was used in the synthesis of 1-(1,1′-biphenyl-4-yl)-3-(5-chloro-thiophen-2-yl)-2-(1H-imidazol-1-yl)propane and 1-(5-chlorothiophen-2-yl)-2-(1H-imidazol-1-yl)-3-phenylpropane.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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