Basic information
- CAS
17640-02-7- Standard SMILES
COC(=O)C(C)(Cl)Cl- InChIKey
RDYUJBOUMXIDPY-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2O2
- Average molar mass
- 156.99 g/mol
- Monoisotopic mass
- 155.9744848
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dichloro-, methyl ester
- IUPAC
- methyl 2,2-dichloropropanoate
- English name
- DALAPON-METHYL ESTER
- Molecular formula
- C4H6Cl2O2
- Molecular weight
- 157
Names & synonyms
Methyl 2,2-dichloropropanoateMethyl 2,2-dichloropropionatePropanoic acid, 2,2-dichloro-, methyl esterPropionic acid, 2,2-dichloro-, methyl ester2,2-Dichloropropanoic acid methyl esterDTXSID1066233RefChem:176325DTXCID0035613621-285-3InChI=1/C4H6Cl2O2/c1-4(5,6)3(7)8-2/h1-2HRDYUJBOUMXIDPY-UHFFFAOYSA-N17640-02-7
Show more names
DALAPONE-METHYLMETHYL-2,2-DICHLOROPROPIONATEDALAPON METHYL ESTER STANDARDDalapon methyl ester@40 μg/mL in MtBEDalapon methyl ester@200 μg/mL in MeOH2,2-Dichloropropionic acid methyl esterDalapon Methyl Ester @100 μg/mL in MeOH
Dalapon-methylDalapon-methyl esterMethyl-2,2-dichlorpropionatSCHEMBL6065154SCHEMBL7663104SCHEMBL11568038Methyl 2,2-dichloropropanoate #MFCD00144041
Database identifiers
- CAS
17640-02-7- PubChem CID
- 87207
- DTXSID
DTXSID1066233- EC Number
- 621-285-3
- Nikkaji
- J82.654E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 39 · 39-40 °C(Press: 15 Torr)
- Density
- 1.2934 g/cm3 · 1.2934 g/cm3
- Flash point
- 40 °C · 40 °C
- storage temp.
- 0 · 0-6°C
- BRN
- 1751091 · 1751091
- Major Application
- agricultureenvironmental
- InChI
- 1S/C4H6Cl2O2/c1-4(5,6)3(7)8-2/h1-2H3
- InChIKey
- RDYUJBOUMXIDPY-UHFFFAOYSA-N
- SMILES
- COC(=O)C(C)(Cl)Cl
- EPA Substance Registry System
- 2 · Methyl 2,2-dichloropropionate (17640-02-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H315-H318-H335
- Precautionary statements
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
This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.
Danger
H226 (93%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (93%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1993 3/PG 3
- risk_code
- 10-22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226-H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,2-dichloro-, methyl ester: INACTIVE
Applications
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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