5-(Chloromethyl)isoxazole

HCID 3858013
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Basic information

CAS
57777-33-0
Standard SMILES
ClCc1ccno1
InChIKey
OGCMYKGUHKUPCM-UHFFFAOYSA-N
Molecular formula
C4H4ClNO
Average molar mass
117.53 g/mol
Monoisotopic mass
116.99814143

Names & identifiers

Preferred name
5-(Chloromethyl)isoxazole
IUPAC
5-(chloromethyl)-1,2-oxazole
English name
5-(CHLOROMETHYL)ISOXAZOLE
Molecular formula
C4H4ClNO
Molecular weight
117.53

Names & synonyms

5-(Chloromethyl)isoxazole57777-33-0DTXSID70397439RefChem:300373DTXCID603482985-(chloromethyl)-1,2-oxazole5-Chloromethyl-isoxazole5-chloromethylisoxazoleMFCD066605055-CHLOROMETHYL ISOXAZOLEIsoxazole, 5-(chloromethyl)-5-(Chloromethyl);isoxazole
Show more names
SCHEMBL4166914SCHEMBL5209706SCHEMBL5818008OGCMYKGUHKUPCM-UHFFFAOYSA-NSBB013787STK688933AKOS001110573SB37761

Database identifiers

CAS
57777-33-0
PubChem CID
3858013
DTXSID
DTXSID70397439

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
7

Physicochemical properties

Boiling point
200.1 · 200.1±15.0 °C(Predicted)
Density
1.261 · 1.261±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-2.58 · -2.58±0.50(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H302-H314
Precautionary statements
P280-P305+P351+P338-P310

Chemistry & industry

Suppliers21 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
杭州东帆化学有限公司86-0571-85151182

Related reactions

6 records
New reaction record

Compound notes

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