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4-Methoxybenzonitrile

4-Methoxybenzonitrile structure

CAS No:
874-90-8
Formula:
C8H7NO
Chemical Name:
4-Methoxybenzonitrile
Synonyms:
Benzonitrile,4-methoxy-;p-Anisonitrile;4-Methoxybenzonitrile;p-Cyanoanisole;p-Methoxybenzonitrile;p-Methoxyphenyl cyanide;p-Anisylnitrile;4-Cyanoanisole;4-Cyanomethoxybenzene;p-Cyanophenyl methyl ether;1-Cyano-4-methoxybenzene;p-Methoxycyanobenzene;NSC 3777;NSC 71539;p-Anisolecarbonitrile;Aubepinenitrile;4-Methoxybenzenenitrile;721942-48-9
Categories:
Cosmetic Ingredient > Perfuming

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Description

white to light yellow crystal powder

4-Methoxybenzonitrile Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

BRN：

508117

EC Number：

212-871-6

NSC Number：

71539|3777

DSSTox ID：

DTXSID0052596

HScode：

29269095

Characteristics

PSA：

XLogP3：

1.9

Appearance：

White to slightly beige Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

61.5 °C

Boiling Point：

256.5 °C

Flash Point：

256-257°C

Refractive Index：

1.527

Water Solubility：

H2O: soluble

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

22-20/21/22-36/37/38

safety instructions：

36/37-36-26

Marks：

Xn,Xi

Hazard note：

Harmful

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

RIDADR：

UN 3276

GHS Classification：

|Warning|H302 (95.92%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 139 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-methoxybenzonitrile

4-Methoxybenzonitrile Use and Manufacturing

Methods of Manufacturing

It is obtained from p-methoxyaniline after diazotization, cyanidation and refining.

Uses

The product has stable performance, and is especially suitable for blending various flavors for daily chemical, soap and tobacco. Safe for skin testing. It is an excellent raw material for blending the fragrance of lily of the valley, violet and lavender.

Manufacturing Info：

Benzonitrile, 4-methoxy-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Method	Comments	Reference
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-1	1218.7	temperature ramp	2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 300. C	Chang, L.P.Sheng, L.S.Yang, M.Z.An, D.K.Retention index of essential oil in temperature-programmed capillary column gas chromatographyActa Pharm. Sin.1989, 24, 11, 847-852.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-1	1221.9	temperature ramp	2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 300. C	Chang, L.P.Sheng, L.S.Yang, M.Z.An, D.K.Retention index of essential oil in temperature-programmed capillary column gas chromatographyActa Pharm. Sin.1989, 24, 11, 847-852.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-Wax	2088.5	temperature ramp	2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 240. C	Chang, L.P.Sheng, L.S.Yang, M.Z.An, D.K.Retention index of essential oil in temperature-programmed capillary column gas chromatographyActa Pharm. Sin.1989, 24, 11, 847-852.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-Wax	2089.9	temperature ramp	2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 240. C	Chang, L.P.Sheng, L.S.Yang, M.Z.An, D.K.Retention index of essential oil in temperature-programmed capillary column gas chromatographyActa Pharm. Sin.1989, 24, 11, 847-852.

Computed Properties

Molecular Weight:133.15
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:133.052763847
Monoisotopic Mass:133.052763847
Topological Polar Surface Area:33
Heavy Atom Count:10
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

52533-09-2

10514-27-9

851279-10-2

92567-07-2

Material

Dimethylformamide

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99% pure high quality raw material 4-Methoxybenzonitrile CAS 874-90-8 with Best Price

CAS No.: 874-90-8

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Guide of 4-Methoxybenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Material
Recommended Suppliers
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4-Methoxybenzonitrile

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