Basic information
- CAS
36394-75-9- Standard SMILES
CC(=O)O[C@@H](C)C(=O)Cl- InChIKey
ALHZEIINTQJLOT-VKHMYHEASA-N- Molecular formula
- C5H7ClO3
- Average molar mass
- 150.56 g/mol
- Monoisotopic mass
- 150.00837176
Names & identifiers
- Preferred name
- (1S)-2-Chloro-1-methyl-2-oxoethyl acetate
- IUPAC
- [(2S)-1-chloro-1-oxopropan-2-yl] acetate
- English name
- (S)-(-)-2-Acetoxypropionyl chloride
- Molecular formula
- C5H7ClO3
- Molecular weight
- 150.56
Names & synonyms
(S)-(-)-2-Acetoxypropionyl chloride(1S)-2-chloro-1-methyl-2-oxoethyl acetateDTXSID00454923(2S)-(-)-2-Acetoxypropanoyl chlorideEC 420-610-4RefChem:393879DTXCID90405742420-610-4609-239-036394-75-9(2S)-1-chloro-1-oxopropan-2-yl acetate(S)-(-)-2-acetoxypropionylchloride
Show more names
L-(-)-2-ACETOXYPROPIONYL CHLORIDEAP-CLMosandl reagent2-Peroxyacetyl chlorideO-ACETYL-L-LACTYL CHLORIDES-ACETOXYPROPIONYL CHLORIDE2-Acetoxy propionyl chlorideL-α-Acetoxypropionyl Chloride)-2-Acetoxypropionyl chloride
MFCD00145252(S)-2-acetoxypropionyl chloride[(2S)-1-chloro-1-oxopropan-2-yl] acetateS-2-ACETOXYPROPIONYL CHLORIDESCHEMBL760202(S)-acetoxypropionyl chloride(S)-1-chloro-1-oxopropan-2-yl acetateAS-38669
Database identifiers
- CAS
36394-75-9- PubChem CID
- 11094804
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 50 °C5 · 50 °C5 mm Hg(lit.)
- alpha
- -31 o · -31o (C=4 IN CHLOROFORM)
- Density
- 1.189 g/mL · 1.189 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.423(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Sparingly)
- form
- clear liquid
- Specific Gravity
- 1.19 · 1.19
- color
- Colorless to Light yellow
- optical activity
- 20 · [α]20/D 31°, c = 4 in chloroform
- BRN
- 1722943 · 1722943
- Stability
- Hygroscopic, Moisture sensitive
- InChI
- InChI=1S/C5H7ClO3/c1-3(5(6)8)9-4(2)7/h3H,1-2H3/t3-/m0/s1
- InChIKey
- ALHZEIINTQJLOT-VKHMYHEASA-N
- SMILES
- C(Cl)(=O)[C@@H](OC(C)=O)C
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8392
Hazard Classes and Categories
Flam. Liq. 3 (50%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- F
- 10-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2918199890
- risk_code
- 34-43-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45-23
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
UsesFrequently used chiral building block. Also used to resolve a bicyclic α-hydroxylactone and to prepare chiral phosphonates used in an enantiomeric excess assay of unprotected amino acids. Useful chiral derivatizing agent.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
179 records
Compound notes
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