3-(2-Hydroxyethoxy)propiononitrile

HCID 90451

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Basic information

CAS: 24298-26-8
Standard SMILES: N#CCCOCCO
InChIKey: QNCFKOUSIIQMMI-UHFFFAOYSA-N
Molecular formula: C5H9NO2
Average molar mass: 115.13 g/mol
Monoisotopic mass: 115.06332853

Names & identifiers

Preferred name: 3-(2-Hydroxyethoxy)propiononitrile
IUPAC: 3-(2-hydroxyethoxy)propanenitrile
English name: 3-(2-hydroxyethoxy)propiononitrile
Molecular formula: C5H9NO2
Molecular weight: 115.13046

Names & synonyms

3-(2-hydroxyethoxy)propanenitrile3-(2-Hydroxyethoxy)propiononitrileEINECS 246-137-1HG3Z2AS52A2-(2-hydroxyethoxy)ethyl cyanideDTXSID60179024Propanenitrile, 3-(2-hydroxyethoxy)-PROPIONITRILE, 3-(2-HYDROXYETHOXY)-RefChem:92201DTXCID9010151524298-26-8MFCD13808645

Show more names

HO-PEG1-CNOH-PEG1-CN

UNII-HG3Z2AS52ASCHEMBL2528538SCHEMBL8389726AKOS000221052SB84597NS00027605Y11313

Database identifiers

CAS: 24298-26-8
PubChem CID: 90451
DTXSID: DTXSID60179024
UNII: HG3Z2AS52A
EC Number: 246-137-1
Nikkaji: J287.207B

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 83.7

Physicochemical properties

Boiling point: 140 °C · 140 °C(Press: 10 Torr)
Density: 1.0793 g/cm3 · 1.0793 g/cm3
pka: 14.29 · 14.29±0.10(Predicted)
FDA UNII: 3 Z2AS52A · HG3Z2AS52A
Symbol(GHS): 2 · GHS02,GHS08,GHS09,GHS05,GHS06
Signal word: Danger
Hazard statements: 315 · H315-H331-H335-H350-H301-H317-H311-H225-H318-H411
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P280-P305+P351+P338-P310-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

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 · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS08,GHS09,GHS05,GHS06
Hazard statements: H315-H331-H335-H350-H301-H317-H311-H225-H318-H411
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P280-P305+P351+P338-P310-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Suppliers17 total

泰州葛林美克医药科技有限公司15366892466 · [email protected]

吉林中科研伸科技有限公司18143011203 · [email protected]

吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]

苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]

Related reactions

1 records

New reaction record

HRID 1664195As reactantuspto-grants-2011_10

Compound notes

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