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(2E)-3-Phenyl-2-propenenitrile

(2E)-3-Phenyl-2-propenenitrile structure

CAS No:
1885-38-7
Formula:
C9H7N
Chemical Name:
(2E)-3-Phenyl-2-propenenitrile
Synonyms:
2-Propenenitrile,3-phenyl-,(2E)-;Cinnamonitrile,(E)-;2-Propenenitrile,3-phenyl-,(E)-;(2E)-3-Phenyl-2-propenenitrile;trans-β-Phenylacrylonitrile;trans-Cinnamonitrile;trans-3-Phenylpropenonitrile;(E)-Cinnamonitrile;(E)-3-Phenylacrylonitrile;(E)-3-Phenylpropenenitrile;trans-3-Phenyl-2-propenenitrile;(2E)-3-Phenylprop-2-enenitrile;NSC 77496;(2E)-3-Phenylprop-2-enenitrile;3-trans-Phenyl-acrylonitrile;(E)-Cinnamyl nitrile;Cinnamalva
Categories:
Cosmetic Ingredient > Perfuming

Description

clear it is also widely be used in the pharmaceutical, fine chemical industry . According to the information provided by RIFM, acute toxicity data of cinnamonitrile: oral LD504.15g/kg (rat), skin test LD50> 5g/kg (rabbit). Cinnamonitrile can be made by condensation of acetonitrile with benzaldehyde in the presence of potassium hydroxide solution ; or it can be made by the first transformation of cinnamaldehyde into oxime, then by the dehydration following.

(2E)-3-Phenyl-2-propenenitrile Basic Attributes

Molecular Weight：

129.16

Exact Mass：

129.16

EC Number：

217-552-5

UNII：

H475UV3WWH

NSC Number：

77496|49137|42118

DSSTox ID：

DTXSID8044385

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

Appearance：

Clear colorless to yellow Liquid

Density：

1.0374 g/cm³ @ Temp: 15.2 °C

Melting Point：

22 °C

Boiling Point：

263.8 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.601(lit.)

Water Solubility：

insoluble

Storage Conditions：

Store at<= 20°C.

Vapor Pressure：

0.0101mmHg at 25°C

Toxicity：

The acute oral LD
50
value in rats was reported as 4.15g/kg (3.67-4.63 g/kg) and the acute dermal LD. In rabbits, iv injection of cinnamyl nitrile (20.3 mg/kg) caused death in 10 min. In guinea-pigs and rabbits, cinnamyl nitrile was found to produce the same effects as hydrogen cyanide, with almost equal toxicity, and rabbits given doses higher than the lethal dose were found to die almost as rapidly as those given hydrogen cyanide (Hunt, 1923).

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

UD1440000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H301 (98.39%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P312, P321, P322, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 1610 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301 (85.89%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 333 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cinnamonitrile

(2E)-3-Phenyl-2-propenenitrile Use and Manufacturing

Methods of Manufacturing

Cinnamaldehyde and hydroxylamine hydrochloride form an aldoxime through addition-elimination reaction in the presence of pyridine, and then azeotropic dehydration with toluene to obtain cinnamonitrile.

Uses

The parent compound whose derivatives can be applied as corrosion inhibitors for API J55 steel.

Manufacturing Info：

2-Propenenitrile, 3-phenyl-, (2E)-: ACTIVE

Computed Properties

Molecular Weight:129.16
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:129.057849228
Monoisotopic Mass:129.057849228
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:155
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

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CAS No.: 1885-38-7

Grade: Pharmaceutical Grade

Content: 99%

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Cinnamonitrile 99% high purity certified Professional producer Greenbo

CAS No.: 1885-38-7

Grade: Food Grade

Content: 99%

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Guide of (2E)-3-Phenyl-2-propenenitrile

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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(2E)-3-Phenyl-2-propenenitrile

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