Methyl chlorotetrolate
Basic information
- CAS
41658-12-2- Standard SMILES
COC(=O)C#CCCl- InChIKey
SQWTVWVBVHSZGM-UHFFFAOYSA-N- Molecular formula
- C5H5ClO2
- Average molar mass
- 132.54 g/mol
- Monoisotopic mass
- 131.9978071
Names & identifiers
- Preferred name
- Methyl chlorotetrolate
- IUPAC
- methyl 4-chlorobut-2-ynoate
- English name
- Methyl-4-chloro-2-butynoate
- Molecular formula
- C5H5ClO2
- Molecular weight
- 132.54
Names & synonyms
Methyl 4-chlorobut-2-ynoate41658-12-2Methyl chlorotetrolateChlorotetrolic acid methyl esterDTXSID901944822-Butynoic acid, 4-chloro-, methyl esterRefChem:157820DTXCID00116973831-446-1METHYL-4-CHLORO-2-BUTYNOATEmethyl 4-chlorotetrolateMethyl4-chlorobut-2-ynoate
Show more names
methyl 4-chloro-2-butynoateSCHEMBL11615364MFCD19232073AKOS006385279SY208012DB-308335CS-0242395EN300-248528
Database identifiers
- CAS
41658-12-2- PubChem CID
- 189115
- DTXSID
DTXSID90194482- EC Number
- 831-446-1
- Nikkaji
- J698.822I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 75.5 °C · 75.5 °C(Press: 11 Torr)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H314-H335
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P280-P370+P378-P403+P235-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H227-H314-H335
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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