3-Chlorothiophene
Properties
- Molecular formula
- C4H3ClS
- Molar mass
- 118.58 g/mol
- Exact mass
- 117.9644 Da
- Melting point
- −62 °C
- Boiling point
- 136–137 °C
- logP
- 2.40Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin13% of notifiers
- H315 Causes skin irritation87% of notifiers
- H318 Causes serious eye damage84.8% of notifiers
- H332 Harmful if inhaled13% of notifiers
- H335 May cause respiratory irritation84.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
17249-80-8SMILES
Clc1ccsc1InChIKey
QUBJDMPBDURTJT-UHFFFAOYSA-NInChI
InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Thiophene, 3-chloro-
Work with 3-Chlorothiophene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,3'-Bithiophene3172-56-345 % similar
3-Iodothiophene10486-61-039 % similar
Thiophen-3-amine17721-06-139 % similar
3-Methylthiophene616-44-439 % similar
3-Bromothiophene872-31-139 % similar
1,4-Dichlorobenzene106-46-739 % similar
3-Phenylthiophene2404-87-736 % similar
3-Thiophenecarbonyl chloride41507-35-136 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.