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71-43-2 molecular structure
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benzene

ChemBase ID: 88240
Molecular Formular: C6H6
Molecular Mass: 78.11184
Monoisotopic Mass: 78.04695019
SMILES and InChIs

SMILES:
c1ccccc1
Canonical SMILES:
c1ccccc1
InChI:
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey:
UHOVQNZJYSORNB-UHFFFAOYSA-N

Cite this record

CBID:88240 http://www.chembase.cn/molecule-88240.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzene
IUPAC Systematic name
cyclohexa-1,3,5-triene
IUPAC Traditional name
benzene
Synonyms
Benzene
Benzene, ACS
Benzene, anhydrous
Benzene, HPLC Grade
Benzene, Spectrophotometric Grade
Benzene 99.8%
1,3,5-cyclohexatriene
benzol
phene
BENZENE, ANHYDROSOLV GRADE
BENZENE
Pyrobenzole
BENZENE ACS REAGENT GRADE
苯, ACS
苯, 无水
苯, HPLC级
苯, 光谱级
CAS Number
71-43-2
EC Number
200-753-7
MDL Number
MFCD00003009
Beilstein Number
969212
Merck Index
141066
PubChem SID
24864879
24859297
24847664
24849458
24847673
24872013
162075228
24885346
24859203
24856389
PubChem CID
241
CHEBI ID
16716
CHEMBL
277500
Chemspider ID
236
KEGG ID
C01407
Unique Ingredient Identifier
J64922108F
Wikipedia Title
Benzene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9732459  LogD (pH = 7.4) 1.9732459 
Log P 1.9732459  Molar Refractivity 26.058 cm3
Polarizability 10.40423 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1.8 g/L (15 °C) in water expand Show data source
Apperance
APHA: ≤10 expand Show data source
APHA: ≤20 expand Show data source
Colorless liquid expand Show data source
Liquid expand Show data source
Melting Point
5 °C expand Show data source
5.5 °C(lit.) expand Show data source
5.5 °C, 278.7 K, 41.9 °F expand Show data source
5.5°C expand Show data source
5°C expand Show data source
Boiling Point
80 °C(lit.) expand Show data source
80.1 °C at 1013.25 hPa expand Show data source
80.1 °C, 353.3 K, 176.18 °F expand Show data source
80°C expand Show data source
80-80.2°C expand Show data source
Flash Point
-11 °C (closed cup) expand Show data source
-11 °C expand Show data source
-11°C expand Show data source
-11.63 °C, 262 K expand Show data source
-11°C(12°F) expand Show data source
12.2 °F expand Show data source
Auto Ignition Point
1043 °F expand Show data source
562 °C expand Show data source
Density
.8765 g/cm3 at 20 °C expand Show data source
0.874 expand Show data source
0.874 g/mL at 25 °C(lit.) expand Show data source
0.8765(20) g/cm3 expand Show data source
0.88 expand Show data source
Refractive Index
1.5010 expand Show data source
n20/D 1.5000-1.5020 expand Show data source
n20/D 1.501 expand Show data source
n20/D 1.501(lit.) expand Show data source