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3-Methoxybenzonitrile

3-Methoxybenzonitrile structure

CAS No:
1527-89-5
Formula:
C8H7NO
Chemical Name:
3-Methoxybenzonitrile
Synonyms:
Benzonitrile,3-methoxy-;m-Anisonitrile;3-Methoxybenzonitrile;m-Methoxybenzonitrile;m-Cyanoanisole;3-Cyanoanisole;NSC 225049
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colourless to light yellow liquid

3-Methoxybenzonitrile Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

BRN：

1932666

EC Number：

216-201-3

NSC Number：

225049

DSSTox ID：

DTXSID4074695

HScode：

29269090

Characteristics

PSA：

XLogP3：

1.4

Appearance：

Clear, colorless liquid.

Density：

1.089 g/mL at 25 °C(lit.)

Melting Point：

20-22°C

Boiling Point：

164-165 °C @ Press: 20 Torr

Flash Point：

221 °F

Refractive Index：

n 20/D 1.5402(lit.)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.0567mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-36/37-24/25

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (97.78%): 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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-methoxybenzonitrile

Computed Properties

Molecular Weight:133.15
XLogP3:1.4
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:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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