1-(4-Methoxyphenyl)cyclopropane-1-carbonitrile

HCID 85574CAS 16728-00-0
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C2(C#N)CC2)cc1
InChIKey
OIQRGAQXQLASRC-UHFFFAOYSA-N
Molecular formula
C11H11NO
Average molar mass
173.21 g/mol
Monoisotopic mass
173.08406397

Names & identifiers

Preferred name
1-(4-Methoxyphenyl)cyclopropane-1-carbonitrile
IUPAC
1-(4-methoxyphenyl)cyclopropane-1-carbonitrile
English name
1-(4-Methoxy-phenyl)-cyclopropanecarbonitrile
Molecular formula
C11H11NO
Molecular weight
173.21

Names & synonyms

1-(4-Methoxyphenyl)cyclopropane-1-carbonitrileEINECS 240-786-4DTXSID70168262NSC 155169RefChem:425788DTXCID5090753240-786-41-(4-methoxyphenyl)cyclopropanecarbonitrile16728-00-0MFCD00019212CYCLOPROPANECARBONITRILE, 1-(4-METHOXYPHENYL)-1-(4-methoxy-phenyl)-cyclopropanecarbonitrile
Show more names
1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile,96%1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile, 96% 25GR
1-(4-methoxyphenyl)-1-cyclopropanecarbonitrileTS-023731-(4-methoxyphenyl)-cyclopropane-1-carbonitrileNSC155169BB 0254805A8108444-(1-Cyanocyclopropyl)anisoleSCHEMBL1018321

Database identifiers

CAS
16728-00-0
PubChem CID
85574
DTXSID
DTXSID70168262
EC Number
240-786-4
Nikkaji
J236.840D

Properties

Computed structural properties

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

Physicochemical properties

Boiling point
315.3 · 315.3±35.0 °C(Predicted)
Density
1.08 · 1.08
refractive index
1.5415 · 1.5415-1.5435
storage temp.
2 · Storage temp. 2-8°C
form
Liquid
color
Clear colorless to yellow

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Safety data

hs_code
29269095
risk_code
20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
36/37/39-26

Chemistry & industry

Upstream & downstream products

Suppliers50 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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