4-(4-Isothiocyanatophenyl)morpholine

HCID 224862
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Basic information

CAS
51317-66-9
Standard SMILES
S=C=Nc1ccc(N2CCOCC2)cc1
InChIKey
AXUXRZZYZBZQAR-UHFFFAOYSA-N
Molecular formula
C11H12N2OS
Average molar mass
220.29 g/mol
Monoisotopic mass
220.067034

Names & identifiers

Preferred name
4-(4-Isothiocyanatophenyl)morpholine
IUPAC
4-(4-isothiocyanatophenyl)morpholine
English name
4-Morpholinophenyl isothiocyanate
Molecular formula
C11H12N2OS
Molecular weight
220.29

Names & synonyms

4-Morpholinophenyl isothiocyanate51317-66-94-(4-Isothiocyanatophenyl)morpholine4-MorpholinophenylisothiocyanateMFCD000474094-(4-isothiocyanato-phenyl)-morpholineNSC13703SCHEMBL20069DTXSID30279681AXUXRZZYZBZQAR-UHFFFAOYSA-N4-morpholin-4-ylbenzenisothiocyanateGEO-03910
Show more names
Morpholin-4-ylphenylisothiocyanate4-Morpholinophenyl isothiocyanate 97%Morpholine,4-(4-isothiocyanatophenyl)-4-(Morpholin-4-yl)phenyl isothiocyanate
NSC-13703SBB095994AKOS0032112894-(4-morpholinyl)phenyl isothiocyanateAS-31429SY239069DB-0519454-morpholinophenyl isothiocyanate, AldrichCPR

Database identifiers

CAS
51317-66-9
PubChem CID
224862
DTXSID
DTXSID30279681

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
56.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
84 °C · 84 °C
Boiling point
394.4 · 394.4±37.0 °C(Predicted)
Density
1.2 · 1.20±0.1 g/cm3(Predicted)
pka
3.95 · 3.95±0.40(Predicted)
form
crystalline powder
color
Pale yellow

Safety & regulation

Safety data

wgk
WGK 3
hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_note
Harmful
Storage Class
11 - Combustible Solids

Chemistry & industry

Upstream & downstream products

Suppliers30 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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