(2E)-1-Chloro-2-butene
Properties
- Molecular formula
- C4H7Cl
- Molar mass
- 90.55 g/mol
- Exact mass
- 90.0236 Da
- Density
- 0.9295 g/mL (at 20 °C)
- Boiling point
- 85 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H225 Highly Flammable liquid and vapor51.3% of notifiers
- H302 Harmful if swallowed48.7% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H317 May cause an allergic skin reaction48.7% of notifiers
- H332 Harmful if inhaled48.7% of notifiers
- H335 May cause respiratory irritation51.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects48.7% of notifiers
Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
4894-61-5SMILES
C/C=C/CClInChIKey
YTKRILODNOEEPX-NSCUHMNNSA-NInChI
InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 2-Butene, 1-chloro-, (2E)-
- 2-Butene, 1-chloro-, (E)-
- 2-Butene, 1-chloro-, trans-
- trans-Crotyl chloride
- trans-γ-Methallyl chloride
- trans-1-Chloro-2-butene
- (E)-1-Chloro-2-butene
- trans-But-2-enyl chloride
- (E)-Crotyl chloride
- (E)-2-Butenyl chloride
- trans-4-Chloro-2-butene
- (E)-1-Chlorobut-2-ene
Work with (2E)-1-Chloro-2-butene
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,4-Dichlorobut-2-ene110-57-657 % similar
cis-1,4-Dichloro-2-butene1476-11-557 % similar
1,4-Dichloro-2-butene764-41-057 % similar
cis-1,3-Dichloropropene10061-01-544 % similar
trans-1,3-Dichloropropene10061-02-644 % similar
1,3-Dichloropropene542-75-644 % similar
Pent-2-ene109-68-239 % similar
cis-2-Pentene627-20-339 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds