Formic acid, chloro-, 2-chloro-1-methylethyl ester
Basic information
- CAS
817-80-1- Standard SMILES
CC(CCl)OC(=O)Cl- InChIKey
JPKOCPNXQPSKAA-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2O2
- Average molar mass
- 156.99 g/mol
- Monoisotopic mass
- 155.9744848
Names & identifiers
- Preferred name
- Formic acid, chloro-, 2-chloro-1-methylethyl ester
- IUPAC
- 1-chloropropan-2-yl carbonochloridate
- English name
- Chloroformic acid 2-chloro-1-methylethyl ester
- Molecular weight
- 0
Names & synonyms
817-80-1Formic acid, chloro-, 2-chloro-1-methylethyl esterDTXSID30341276RefChem:345714DTXCID502923571-chloropropan-2-yl carbonochloridate1-chloropropan-2-yl chloroformateChloroformic acid 2-chloro-1-methylethyl esterCarbonochloridic acid, 2-chloro-1-methylethyl esterSCHEMBL8049544AKOS006385286alpha-methyl-beta-chloroethyl chloroformate
Show more names
Chloroformic acid 2-chloro-1-methylethylCarbonochloridic acid 2-chloro-1-methylethylCarbonochloridic acid 2-chloro-1-methylethyl ester
Chloroformic acid, 1-chloroisopropyl ester2-Chloro-1-methylethyl chloridocarbonate #G22191EN300-7591335
Database identifiers
- CAS
817-80-1- PubChem CID
- 571995
- DTXSID
DTXSID30341276- EC Number
- 991-375-8
- Nikkaji
- J100.846C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.1
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, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Suppliers
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Related reactions
1 records
Compound notes
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