Basic information
- CAS
37517-81-0- Standard SMILES
COC(=O)CC(=O)Cl- InChIKey
UTBCRHAMJFMIIR-UHFFFAOYSA-N- Molecular formula
- C4H5ClO3
- Average molar mass
- 136.53 g/mol
- Monoisotopic mass
- 135.9927217
Names & identifiers
- Preferred name
- Methyl malonyl chloride
- IUPAC
- methyl 3-chloro-3-oxopropanoate
- English name
- Methyl malonyl chloride
- Molecular formula
- C4H5ClO3
- Molecular weight
- 136.53
Names & synonyms
Methyl malonyl chloride37517-81-0methyl 3-chloro-3-oxopropanoateMethyl 3-chloro-3-oxopropionateUAT3SX9MTDPropanoic acid, 3-chloro-3-oxo-, methyl esterEINECS 253-540-6AI3-51039DTXSID40190959Propanoic acid, 3-chloro-2-oxo-, methyl esterRefChem:817838DTXCID30113450
Show more names
AURORA KA-3053TwoMethylchlorideMehtyl Malonyl ChlorideMethylMalonylChloride>METHYL CHLOROFORMYLACETATEMethyl malonyl chloride 97%Methyl malonyl chloride,97%Methylemalonyl chloride, 97%Methyl chlorocarbonylacetate
253-540-6MFCD00013657Methyl chloroformylacetateMethyl (Chloroformyl)acetate3-Chloro-3-oxopropionic Acid Methyl Ester(Chloroformyl)acetic Acid Methyl Estermethyl 3-chloro-3-oxo-propanoateM2315
Database identifiers
- CAS
37517-81-0- PubChem CID
- 123460
- DTXSID
DTXSID40190959- UNII
- UAT3SX9MTD
- EC Number
- 253-540-6
- Nikkaji
- J261.191K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 57 · 57-59 °C/12 mmHg (lit.)
- Density
- 1.273 g/mL · 1.273 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 176 °F · 176 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- Liquid
- pka
- 9.33 · 9.33±0.46(Predicted)
- Specific Gravity
- 1.275 · 1.275
- color
- Colorless
- Water Solubility
- Reacts with water.
- Sensitive
- Lachrymatory
- BRN
- 1754078 · 1754078
- InChI
- 1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
- InChIKey
- UTBCRHAMJFMIIR-UHFFFAOYSA-N
- SMILES
- COC(=O)CC(Cl)=O
- CAS DataBase Reference
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPropanoic acid, 3-chloro-3-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 8-10-19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29171900
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory/Keep Cold
- safety_code
- 26-36/37/39-45
- hazard_class
Chemistry & industry
Applications
UsesMethyl malonyl chloride is used as pharmaceutical intermediate. Used in anti-cancer drugs.
General DescriptionMethyl 3-chloro-3-oxopropionate reacts with 4-cyano-1,1′-biphenyl derivatives bearing ω-hydroxyalkyl substituents to yield liquid-crystalline linear malonates and cyanoacetates.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
106 records
Compound notes
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