Home > Compound List > Compound details
93-52-7 molecular structure
click picture or here to close

(1,2-dibromoethyl)benzene

ChemBase ID: 89210
Molecular Formular: C8H8Br2
Molecular Mass: 263.95712
Monoisotopic Mass: 261.89927426
SMILES and InChIs

SMILES:
BrC(c1ccccc1)CBr
Canonical SMILES:
BrCC(c1ccccc1)Br
InChI:
InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey:
SHKKTLSDGJRCTR-UHFFFAOYSA-N

Cite this record

CBID:89210 http://www.chembase.cn/molecule-89210.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,2-dibromoethyl)benzene
IUPAC Traditional name
(1,2-dibromoethyl)benzene
Synonyms
(1,2-Dibromoethyl)benzene
1,2-Dibromo-1-phenylethane
Phenylethylene bromide
Styrene dibromide
(1,2-Dibromoethyl)benzene
1,2-二溴-1-苯乙烷
二溴化苯乙烯
苯乙烯二溴化物
1,2-二溴乙基苯
(1,2-二溴乙基)苯
CAS Number
93-52-7
EC Number
202-253-4
MDL Number
MFCD00000138
Beilstein Number
907323
PubChem SID
24850710
162076093
24860601
PubChem CID
7145

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6557353  LogD (pH = 7.4) 3.6557353 
Log P 3.6557353  Molar Refractivity 50.9054 cm3
Polarizability 19.563707 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)
Melting Point
70-73 °C expand Show data source
70-74 °C(lit.) expand Show data source
70-74°C expand Show data source
Boiling Point
139-140°C/15mm expand Show data source
139-141 °C/15 mmHg(lit.) expand Show data source
RTECS
CZ1800100 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
≥98.0% (GCF) expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
C6H5CH(Br)CH2Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 178012 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle