Benzene ACS, ExiPlus, Multi-Compendial, 99.5%

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Description

Part A

CAS Number

71-43-2

UN Code

UN No.: 1114, IMCO Class No.: 3, Packing Group: II

Storage Temperature

Room Temperature

Chemical Information

Benzene

Benzene can cause cancer according to California Labor Code. It can cause developmental toxicity and male reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number	71-43-2
PubChem CID	241
IUPAC Name	benzene
Molecular Formula	C6H6
Molecular Weight	78.11
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	15

SMILES

C1=CC=CC=C1

InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChIKey

UHOVQNZJYSORNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71-43-2

CID: 241

Formula: C6H6

MW: 78.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	78.11
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	78.0469501914
Monoisotopic Mass	78.0469501914
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	15.5
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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Benzene ACS, ExiPlus, Multi-Compendial, 99.5%

Chemical Information

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