Propargyl chloride
Properties
- Molecular formula
- C3H3Cl
- Molar mass
- 74.51 g/mol
- Exact mass
- 73.9923 Da
- Density
- 1.0239 g/mL (at 25 °C)
- Boiling point
- 58 °C
- logP
- 0.86Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed97.8% of notifiers
- H311 Toxic in contact with skin24.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage72.3% of notifiers
- H330 Fatal if inhaled73.4% of notifiers
- H331 Toxic if inhaled24.5% of notifiers
- H335 May cause respiratory irritation73.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects73.4% of notifiers
Aggregated from 184 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, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
624-65-7SMILES
C#CCClInChIKey
LJZPPWWHKPGCHS-UHFFFAOYSA-NInChI
InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 1-Propyne, 3-chloro-
- Propyne, 3-chloro-
- 3-Chloro-1-propyne
- 3-Chloropropyne
- 2-Propynyl chloride
- 1-Chloroprop-2-yne
- NSC 66411
Work with Propargyl chloride
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
4-Chloro-1-butyne51908-64-644 % similar
5-Chloro-1-pentyne14267-92-640 % similar
1,5-Hexadiyne628-16-040 % similar
1,4-Dichloro-2-butyne821-10-340 % similar
6-Chloro-1-hexyne10297-06-038 % similar
1,6-Heptadiyne2396-63-635 % similar
1,7-Octadiyne871-84-135 % similar
Propargyl bromide106-96-733 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.