2-Chlorothiophene
Properties
- Molecular formula
- C4H3ClS
- Molar mass
- 118.58 g/mol
- Exact mass
- 117.9644 Da
- Melting point
- −71.9 °C
- Boiling point
- 128.3 °C
- logP
- 2.40Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor10.2% of notifiers
- H226 Flammable liquid and vapor89.8% of notifiers
- H301 Toxic if swallowed12.2% of notifiers
- H311 Toxic in contact with skin12.2% of notifiers
- H315 Causes skin irritation87.8% of notifiers
- H319 Causes serious eye irritation87.8% of notifiers
- H330 Fatal if inhaled10.2% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
96-43-5SMILES
Clc1cccs1InChIKey
GSFNQBFZFXUTBN-UHFFFAOYSA-NInChI
InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Thiophene, 2-chloro-
- 2-Thienyl chloride
- NSC 8747
Work with 2-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
Thiophen-2-ol17236-58-745 % similar
2,2′-Bithiophene492-97-745 % similar
2-Thiophenethiol7774-74-541 % similar
2,5-Dichlorothiophene173777-89-440 % similar
2,5-Dichlorothiophene3172-52-940 % similar
2-chloromethylThiophene765-50-440 % similar
2-Bromothiophene1003-09-439 % similar
Tris(2-thienyl)phosphine24171-89-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.