Fumaryl chloride
Properties
- Molecular formula
- C4H2Cl2O2
- Molar mass
- 152.96 g/mol
- Exact mass
- 151.9432 Da
- Melting point
- 260 °C (decomposes)
- Boiling point
- 159 °C
- logP
- 1.07Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H332 Harmful if inhaled95.7% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
627-63-4SMILES
O=C(Cl)/C=C/C(=O)ClInChIKey
ZLYYJUJDFKGVKB-OWOJBTEDSA-NInChI
InChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Butenedioyl dichloride, (2E)-
- Fumaroyl chloride
- 2-Butenedioyl dichloride, (E)-
- (2E)-2-Butenedioyl dichloride
- Fumaric dichloride
- Fumaroyl dichloride
- Fumaric acid dichloride
- Fumaric acid chloride
- Fumaryl dichloride
Reactions
Work with Fumaryl 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
2-Butenoyl chloride10487-71-565 % similar
trans-Crotonyl chloride625-35-465 % similar
Acryloyl chloride814-68-650 % similar
Cinnamoyl chloride102-92-146 % similar
3-Ethoxy-2-propenoyl chloride6191-99-746 % similar
3-Methyl-2-butenoyl chloride3350-78-545 % similar
1,4-Benzoquinone106-51-431 % similar
Phosgene75-44-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds