Benzonitrile 99%

CAT: 0286-B03380-02Size: 500 gDry Ice: NoHazardous: Yes

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CAT#:0286-B03380-02Size:500 g

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CAS Number

100-47-0

Synonyms

Phenyl cyanide; Cyanobenzene

UN Code

UN2224

Pictogram

02 - Flammable; 06 - Acute Toxicity; 08 - Health Hazard

UDF Signal Word

Danger

MDL Number

MFCD00001770

Hazard Statement

H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H370 Causes damage to organs.

DOT Name

Benzonitrile

DOT Classification

Class 6.1

Packaging Group

PGII

Precautions

P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P307+P311 IF exposed: call a POISON CENTER or doctor/physician; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Benzonitrile

Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. It is a nitrile and a member of benzenes.

CAS Number	100-47-0
PubChem CID	7505
IUPAC Name	benzonitrile
Molecular Formula	C7H5N
Molecular Weight	103.12
XLogP	1.6
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

C1=CC=C(C=C1)C#N

InChI

InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

InChIKey

JFDZBHWFFUWGJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-47-0

CID: 7505

Formula: C7H5N

MW: 103.12

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	103.12
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	103.042199164
Monoisotopic Mass	103.042199164
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Benzonitrile 99%

Chemical Information

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