HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 85574Generated: October 27, 2026

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

1-(4-methoxyphenyl)cyclopropane-1-carbonitrile · 1-(4-METHOXYPHENYL)-1-CYCLOPROPANECARBONITRILE · 1-(4-Methoxy-phenyl)-cyclopropanecarbonitrile · 1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile,96% · 1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile, 96% 25GR

https://huagongshe.com/en/chemical/85574

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

Identifiers & Physical Properties

CAS No.	16728-00-0
Molecular formula	C11H11NO
Average molar mass	173.21 g/mol
Monoisotopic mass	173.08406397 g/mol
SMILES	COc1ccc(C2(C#N)CC2)cc1
InChIKey	OIQRGAQXQLASRC-UHFFFAOYSA-N
PubChem CID	85574
EC No.	240-786-4
DTXSID	DTXSID70168262

Chemical & Physical Properties

XLogP	1.9
Topological polar surface area	33
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	2
Heavy atoms	13
Formal charge	0
Complexity	228
Boiling point	315.3±35.0 °C(Predicted)
Density	1.08
Refractive index	1.5415-1.5435
Storage conditions	Storage temp. 2-8°C
Physical state	Liquid
Color	Clear colorless to yellow
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302+H312+H332
GHS precautionary statements	P280
Hazard symbols	Xn
Risk statements (R)	20/21/22
Safety statements (S)	36/37/39-26
Hazard class	IRRITANT
Customs code	29269095

Safety & Regulations

GHS classification	WarningH302 (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 Classes and Categories	Acute Tox. 4 (100%)
Customs code	29269095
Risk statements (R)	20/21/22
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xn
Safety statements (S)	36/37/39-26
Hazard class	IRRITANT
GHS hazard statements	H302+H312+H332
GHS precautionary statements	P280

CAS No.

16728-00-0

Molecular formula

C11H11NO

Average molar mass

173.21 g/mol

Monoisotopic mass

173.08406397 g/mol

SMILES

COc1ccc(C2(C#N)CC2)cc1

InChIKey

OIQRGAQXQLASRC-UHFFFAOYSA-N

PubChem CID

85574

EC No.

240-786-4

DTXSID

DTXSID70168262

Chemical & Physical Properties

XLogP

1.9

Topological polar surface area

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

228

Boiling point

315.3±35.0 °C(Predicted)

Density

1.08

Refractive index

1.5415-1.5435

Storage conditions

Storage temp. 2-8°C

Physical state

Liquid

Color

Clear colorless to yellow

GHS pictogram

GHS07

Signal word

Warning

GHS hazard statements

H302+H312+H332

GHS precautionary statements

P280

Hazard symbols

Risk statements (R)

20/21/22

Safety statements (S)

36/37/39-26

Hazard class

IRRITANT

Customs code

29269095

Safety & Regulations

GHS classification

WarningH302 (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 Classes and Categories

Acute Tox. 4 (100%)

Customs code

29269095

Risk statements (R)

20/21/22

Signal word

Warning

GHS pictogram

GHS07

Hazard symbols

Safety statements (S)

36/37/39-26

Hazard class

IRRITANT

GHS hazard statements

H302+H312+H332

GHS precautionary statements

P280