Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate

HCID 736836
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Basic information

CAS
318280-71-6
Standard SMILES
CCOC(=O)C1CCN(C(=O)CCl)CC1
InChIKey
QEHUOCAVXLYCAU-UHFFFAOYSA-N
Molecular formula
C10H16ClNO3
Average molar mass
233.69 g/mol
Monoisotopic mass
233.08187105

Names & identifiers

Preferred name
Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
IUPAC
ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
English name
ETHYL 1-(2-CHLOROACETYL)-4-PIPERIDINECARBOXYLATE
Molecular formula
C10H16ClNO3
Molecular weight
233.69

Names & synonyms

ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate318280-71-6DTXSID70353116RefChem:341950DTXCID80304179Ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylateMFCD01480849ethyl 1-(chloroacetyl)piperidine-4-carboxylateETHYL 1-(2-CHLORO-ACETYL)PIPERIDIN-4-CARBOXYLATEF9995-0710SCHEMBL5605709CHEMBL5401921
Show more names
1-(2-CHLOROACETYL)-4-PIPERIDINECARBOXYLATEEthyl 1-(2-Chloroacetyl)-4-piperidinecarboxylate ,97%4-Piperidinecarboxylic acid, 1-(2-chloroacetyl)-, ethyl ester
4-Piperidinecarboxylic acid, 1-(chloroacetyl)-, ethyl ester (9CI)AKOS000293147SB43336NCGC00661381-01AS-55140DB-026534CS-0307524ST51024230

Database identifiers

CAS
318280-71-6
PubChem CID
736836
DTXSID
DTXSID70353116
ChEMBL
CHEMBL5401921
EC Number
980-216-8

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Boiling point
345.8 · 345.8±37.0 °C(Predicted)
Density
1.202 · 1.202±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-1.9 · -1.90±0.40(Predicted)
Hazard Codes
C,Xi
Risk Statements
20 · 20/21/22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
29333990
risk_code
20/21/22
hazard_code
C,Xi
hazard_note
Corrosive/Irritant
safety_code
24/25-36/37

Chemistry & industry

Upstream & downstream products

Suppliers27 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

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Compound notes

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