3-Nitrophenoxyacetonitrile

HCID 310004
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Basic information

CAS
19157-84-7
Standard SMILES
N#CCOc1cccc([N+](=O)[O-])c1
InChIKey
LYQBVFQJMRSUKH-UHFFFAOYSA-N
Molecular formula
C8H6N2O3
Average molar mass
178.14 g/mol
Monoisotopic mass
178.03784205

Names & identifiers

Preferred name
3-Nitrophenoxyacetonitrile
IUPAC
2-(3-nitrophenoxy)acetonitrile
English name
(3-Nitro-phenoxy)-acetonitrile
Molecular formula
C8H6N2O3
Molecular weight
178.14

Names & synonyms

3-nitrophenoxyacetonitrile19157-84-7DTXSID10309652RefChem:281355DTXCID502607782-(3-nitrophenoxy)acetonitrile(3-Nitro-phenoxy)-acetonitrile(3-Nitrophenoxy)acetonitrileNSC212485m-nitrophenoxyacetonitrileSCHEMBL655747SCHEMBL11256742
Show more names
Acetonitrile, 2-(3-nitrophenoxy)-
LYQBVFQJMRSUKH-UHFFFAOYSA-NMFCD12818583AKOS008951374NSC-212485DB-202113CS-0449435

Database identifiers

CAS
19157-84-7
PubChem CID
310004
DTXSID
DTXSID10309652

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
78.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
353.8 · 353.8±17.0 °C(Predicted)
Density
1.317 · 1.317±0.06 g/cm3(Predicted)
HS Code
2926907090 · 2926907090

Safety & regulation

Safety data

hs_code
2926907090

Chemistry & industry

Suppliers5 total

苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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