Basic information
- Standard SMILES
Clc1ccsc1- InChIKey
QUBJDMPBDURTJT-UHFFFAOYSA-N- Molecular formula
- C4H3ClS
- Average molar mass
- 118.59 g/mol
- Monoisotopic mass
- 117.96439878
Names & identifiers
- Preferred name
- 3-Chlorothiophene
- IUPAC
- 3-chlorothiophene
- English name
- 3-Chlorothiophene
- Molecular formula
- C4H3ClS
- Molecular weight
- 118.58
Names & synonyms
3-ChlorothiopheneRefChem:500545605-636-817249-80-8Thiophene, 3-chloro-3-Thienyl ChlorideMFCD000438873-chloro-thiophene3-Chlorothiophene, 98%SCHEMBL4123SCHEMBL4205SCHEMBL153082
Show more names
3-Chlorothiophene >3-Chlorothiophene 98%3-Chlorothiophene,98%3-Chlorothiophene, 98% 5GR3-CHLOROTHIOPHENE ISO 9001：2015 REACH3-Chlorothiophene,98%,maycontainupto2%DMF3-Chlorothiophene, 98%, May contain up to 2% DiMethyl forMaMide
SCHEMBL268092SCHEMBL349986orb3030124DTXSID20169325Fr14320STR01650AKOS006220722AC-4914
Database identifiers
- CAS
17249-80-8- PubChem CID
- 87017
- DTXSID
DTXSID20169325- EC Number
- 605-636-8
- Nikkaji
- J149.960B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -62 °C · -62 °C
- Boiling point
- 137 · 137-139 °C(lit.)
- Density
- 1.276 g/mL · 1.276 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.553(lit.)
- Flash point
- 99 °F · 99 °F
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- form
- Liquid
- Specific Gravity
- 1.276 · 1.276
- color
- Clear colorless to light yellow
- BRN
- 105255 · 105255
- Exposure limits
- 5 ppm · ACGIH: TWA 5 ppm (Skin)OSHA: TWA 10 ppm(30 mg/m3)NIOSH: IDLH 500 ppm; TWA 10 ppm(30 mg/m3)
- InChI
- InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
- InChIKey
- QUBJDMPBDURTJT-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1Cl
- CAS DataBase Reference
- 17249 · 17249-80-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H312-H318-H331-H226-H302-H315-H319-H335-H360
- Precautionary statements
- 201 · P201-P210-P280-P305+P351+P338-P308+P313-P370+P378-P303+P361+P353-P501a-P202-P233-P240-P241+P242+P243-P261-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P235-P405-P501
- target organs
- Respiratory system
- Hazard Codes
- T,F,Xi
- Risk Statements
- 61 · 61-10-36-36/37/38-41-37/38-22
- Safety Statements
- 53 · 53-16-26-45-36-7/9-37/39-39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- -
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Repr. 1BSkin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- -
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339900
- risk_code
- 61-10-36-36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS05,GHS06
- hazard_code
- T,F,Xi
- hazard_note
- Irritant
- safety_code
- 53-16-26-45-36-7/9-37/39-39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H312-H318-H331-H226-H302-H315-H319-H335-H360
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Repr. 1BSkin Irrit. 2STOT SE 3
- Precautionary statements
- P201-P210-P280-P305+P351+P338-P308+P313-P370+P378-P303+P361+P353-P501a-P202-P233-P240-P241+P242+P243-P261-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P235-P405-P501
Chemistry & industry
Applications
Uses3-Chlorothiophene was used in the synthesis of poly(3-chlorothiophene) films by direct oxidation in mixed electrolytes of boron trifluoride diethyl etherate and trifluroacetic acid.
General DescriptionElectrochemical homopolymerization of 3-chlorothiophene and copolymerization with 3-methylthiophene in ionic liquid has been investigated by potentiodynamic and galvanostat methods.
Upstream & downstream products
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