4-Methoxybenzonitrile

Modify Date: 2024-01-02 06:17:31

4-Methoxybenzonitrile structure	Common Name	4-Methoxybenzonitrile
	CAS Number	874-90-8	Molecular Weight	133.147
	Density	1.1±0.1 g/cm3	Boiling Point	256.5±0.0 °C at 760 mmHg
	Molecular Formula	C₈H₇NO	Melting Point	57-59 °C(lit.)
	MSDS	Chinese USA	Flash Point	104.3±13.7 °C
	Symbol	GHS07	Signal Word	Warning

Name	4-Methoxybenzonitrile
Synonym	More Synonyms

Density	1.1±0.1 g/cm3
Boiling Point	256.5±0.0 °C at 760 mmHg
Melting Point	57-59 °C(lit.)
Molecular Formula	C₈H₇NO
Molecular Weight	133.147
Flash Point	104.3±13.7 °C
Exact Mass	133.052765
PSA	33.02000
LogP	1.87
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.527
Water Solubility	soluble

4-Methoxybenzonitrile MSDS(Chinese)

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S36/37
RIDADR	3276
WGK Germany	3
Packaging Group	III
Hazard Class	6.1
HS Code	29269095

Precursor 10
CAS#:3717-21-3 Benzaldehyde,4-... CAS#:70978-37-9 1-(azidomethyl)... CAS#:104-92-7 4-Bromoanisole CAS#:68-12-2 N,N-Dimethylfor...
CAS#:94-30-4 Ethyl 4-methoxy... CAS#:105-13-5 4-Methoxybenzyl... CAS#:52898-49-4 4,N-DIMETHOXY-N... CAS#:6388-72-3 Oxirane,2-(4-me...
CAS#:7291-00-1 p-Methoxy-N,N-d... CAS#:557-21-1 zinc,dicyanide
DownStream 10
CAS#:1050392-22-7 3-AMINO-3-(4-ME... CAS#:1050392-29-4 3-(4-METHOXYPHE... CAS#:1050392-15-8 3-AMINO-3-(4-ME... CAS#:10602-66-1 4-Methoxybenzen...
CAS#:53416-46-9 2-(4-METHOXYPHE... CAS#:3672-47-7 3-(4-Methoxyphe... CAS#:456-71-3 4-(Trifluoromet... CAS#:33224-23-6 4-METHOXY-3-NIT...
CAS#:331-62-4 3-Fluoro-4-meth... CAS#:104197-15-1 3,5-Difluoro-4-...

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Vibrational analysis of substituted benzonitriles. III. Transferability of force constants--the case of some halogeno-, methoxy- and nitro-benzonitriles.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 53A(12) , 2041-8, (1997)

A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for 2-chloro, 6-fluorobenzonitrile, s-trichlorobenzonitrile, p- and m-methoxybenzonitriles and m-nitro...

Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 71(3) , 1074-9, (2008)

The SERS modelling of o-, m-, and p-methoxybenzonitrile has been performed following the same methodology that in Part I. Optimized structure obtained from DFT calculations in a B3LYP-LANL2DZ level of...

[Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].

Yakugaku Zasshi 100(6) , 668-71, (1980)

4-Methoxybenzonitrile

EINECS 212-871-6

MFCD00001818

Benzonitrile, 4-methoxy-