Diethyl cyclopropane-1,1-dicarboxylate

HCID 73790
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Basic information

CAS
1559-02-0
Standard SMILES
CCOC(=O)C1(C(=O)OCC)CC1
InChIKey
KYYUCZOHNYSLFV-UHFFFAOYSA-N
Molecular formula
C9H14O4
Average molar mass
186.2 g/mol
Monoisotopic mass
186.08920893

Names & identifiers

Preferred name
Diethyl cyclopropane-1,1-dicarboxylate
IUPAC
diethyl cyclopropane-1,1-dicarboxylate
English name
Diethyl 1,1-cyclopropanedicarboxylate
Molecular formula
C9H14O4
Molecular weight
186.21

Names & synonyms

1559-02-0Diethyl 1,1-cyclopropanedicarboxylateDiethyl cyclopropane-1,1-dicarboxylate1,1-Bis(ethoxycarbonyl)cyclopropaneAI3-05554EINECS 216-321-6DTXSID80165984NSC 21376RefChem:133408DTXCID9088475216-321-6KYYUCZOHNYSLFV-UHFFFAOYSA-N
Show more names
Diethyl 1RARECHEM AL BO 0836opropane-1,1-dicarboxyLDiethyldifluoroMalonate96%1-CyclopropanedicarboxylateEthyl 1,1-cyclopropanedicarboxylate
1,1-diethyl cyclopropane-1,1-dicarboxylate1,1-Cyclopropanedicarboxylic acid, diethyl esterMFCD000012831,1-Cyclopropanedicarboxylic acid, 1,1-diethyl ester1,1-Cyclopropanedicarboxylic Acid Diethyl Estercyclopropane-1,1-dicarboxylic acid diethyl ester1,1-DicarbethoxycyclopropaneNSC-21376

Database identifiers

CAS
1559-02-0
PubChem CID
73790
DTXSID
DTXSID80165984
UNII
D56NXJ5UMC
EC Number
216-321-6
Nikkaji
J184.204H

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point
134 · 134-136 °C(lit.)
Boiling point
94 · 94-96 °C/10 mmHg (lit.)
Density
1.055 g/mL · 1.055 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.433(lit.)
Flash point
188 °F · 188 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

H228 (25%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 31-08-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17845
Hazard Classes and CategoriesFlam. Sol. 2 (25%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29172090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

UsesDiethyl 1,1-Cyclopropanedicarboxylate (cas# 1559-02-0) is a compound useful in organic synthesis.

General DescriptionDiethyl cyclopropane-1,1-dicarboxylate participates in ring-opening addition reactions with various nucleophilic reagents.

Upstream & 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]

Related reactions

36 records
New reaction record

Compound notes

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