3-Hydroxy-2-phenylacrylonitrile

HCID 90759
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Basic information

CAS
22252-92-2
Standard SMILES
N#CC(=CO)c1ccccc1
InChIKey
GQNBRISQKUALEP-UHFFFAOYSA-N
Molecular formula
C9H7NO
Average molar mass
145.16 g/mol
Monoisotopic mass
145.05276385

Names & identifiers

Preferred name
3-Hydroxy-2-phenylacrylonitrile
IUPAC
3-hydroxy-2-phenylprop-2-enenitrile
English name
2-CYANO-2-PHENYLVINYLALCOHOL
Molecular formula
C9H7NO
Molecular weight
145.16

Names & synonyms

3-Hydroxy-2-phenylacrylonitrile22252-92-2EINECS 244-871-7NSC 17323RefChem:279805244-871-73-hydroxy-2-phenylprop-2-enenitrile2-CYANO-2-PHENYLVINYLALCOHOLSCHEMBL2037491DTXSID401280712AKOS030230908I+/--(Hydroxymethylene)benzeneacetonitrile
Show more names
(E)-3-HYDROXY-2-PHENYLACRYLONITRILE(2Z)-3-Hydroxy-2-phenylacrylonitrileα-(Hydroxymethylene)benzeneacetonitrileBenzeneacetonitrile, α-(hydroxymethylene)-

Database identifiers

CAS
22252-92-2
PubChem CID
90759
DTXSID
DTXSID401280712
EC Number
244-871-7

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
156 · 156-158 °C
Boiling point
280 · 280.0±40.0 °C(Predicted)
Density
1.164 · 1.164±0.06 g/cm3(Predicted)
pka
7.82 · 7.82±0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2926907090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P280-P301+P312-P304+P340

Chemistry & industry

Suppliers4 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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