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4-Hydroxybenzyl cyanide

4-Hydroxybenzyl cyanide structure

CAS No:
14191-95-8
Formula:
C8H7NO
Chemical Name:
4-Hydroxybenzyl cyanide
Synonyms:
Benzeneacetonitrile,4-hydroxy-;Acetonitrile,(p-hydroxyphenyl)-;4-Hydroxybenzeneacetonitrile;p-Hydroxybenzyl cyanide;p-Hydroxyphenylacetonitrile;(4-Hydroxyphenyl)acetonitrile;4-Hydroxybenzyl cyanide;α-Cyano-p-cresol;4-(Cyanomethyl)phenol;4-Hydroxybenzylnitrile;NSC 76080;2-(4-Hydroxyphenyl)acetonitrile
Categories:
Chemical Reagents > Organic Reagents

Description

Light Brown SolidChEBI: A hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4.

Solid

(4-hydroxyphenyl)acetonitrile is a hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4. It has a role as a plant metabolite.

4-Hydroxybenzyl cyanide Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

EC Number：

238-046-0

UNII：

18Q5J224RM

NSC Number：

76080

DSSTox ID：

DTXSID90161856

HScode：

29269095

Characteristics

PSA：

XLogP3：

1.5

Appearance：

Solid

Density：

1.1475 (rough estimate)

Melting Point：

65-70 °C

Boiling Point：

330 °C756 mm Hg(lit.)

Flash Point：

178 °C

Refractive Index：

1.5260 (estimate)

Water Solubility：

slightly soluble

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

8.91E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

36/37-36/37/39-26

RTECS Number：

AM0530000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (97.83%): 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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-hydroxybenzylcyanide

Computed Properties

Molecular Weight:133.15
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:133.052763847
Monoisotopic Mass:133.052763847
Topological Polar Surface Area:44
Heavy Atom Count:10
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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