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22581-63-1 molecular structure
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1,2-dibromoethane

ChemBase ID: 106211
Molecular Formular: C2H4Br2
Molecular Mass: 187.86116
Monoisotopic Mass: 185.86797413
SMILES and InChIs

SMILES:
BrCCBr
Canonical SMILES:
BrCCBr
InChI:
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
InChIKey:
PAAZPARNPHGIKF-UHFFFAOYSA-N

Cite this record

CBID:106211 http://www.chembase.cn/molecule-106211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromoethane
IUPAC Traditional name
dibromoethane
Synonyms
1,2-dibromoethane
1,2-DIBROMO TETRADEUTERO ETHANE
Bromuro di etile
Dibromure d'ethylene
Ethylene bromide
Glycol bromide
alpha,beta-Dibromoethane
sym-Dibromoethane
1,2-DIBROMOETHANE, CERTIFIED GRADE
1,2-Dibromaethan
1,2-Dibroomethaan
1,2-Ethylene dibromide
Ethylene dibromide
EDB
1,2-Dibromoethane
1,2-Dibromoethane solution
二溴化乙烯
1,2-二溴乙烷
1,2-二溴乙烷 溶液
CAS Number
22581-63-1
106-93-4
EC Number
203-444-5
MDL Number
MFCD00000233
Beilstein Number
605266
Merck Index
143796
PubChem SID
24864873
24860068
24854427
24893813
162087287
PubChem CID
7839
CHEBI ID
28534
CHEMBL
452370
Chemspider ID
7551
KEGG ID
C11088
MeSH Name
Ethylene+Dibromide
Wikipedia Title
1,2-Dibromoethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8714951  LogD (pH = 7.4) 1.8714951 
Log P 1.8714951  Molar Refractivity 26.6226 cm3
Polarizability 10.465909 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)
Apperance
Colorless liquid expand Show data source
Melting Point
8-11 °C(lit.) expand Show data source
9.35000000000002 - 10.15°C (282.5 - 283.3 K) expand Show data source
9-10°C expand Show data source
9-10°C expand Show data source
Boiling Point
128.85 - 132.85°C (402 - 406 K) expand Show data source
131-132 °C(lit.) expand Show data source
131-132°C expand Show data source
132°C expand Show data source
Flash Point
>104 °C expand Show data source
None expand Show data source
Density
2.179 expand Show data source
2.18 g mL-1 expand Show data source
2.18 g/mL at 25 °C(lit.) expand Show data source
2.180 expand Show data source
Refractive Index
1.5385 expand Show data source
1.539 expand Show data source
n20/D 1.539 expand Show data source
n20/D 1.539(lit.) expand Show data source
Vapor Pressure
1.56 kPa expand Show data source
11.7 mm Hg @ 25 deg C expand Show data source
11.7 mmHg ( 25 °C) expand Show data source
Vapor Density
~6.5 (vs air) expand Show data source
6.5 g/L expand Show data source
Partition Coefficient
1.93 expand Show data source
Henry Constant
14 μmol Pa kg-1 expand Show data source
Heat Capacity
134.7 J K-1 mol-1 expand Show data source
Std enthalpy of combustion
-1.2419–-1.2387 MJ mol-1 expand Show data source
Std molar entropy
223.30 J K-1 mol-1 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
KH9275000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1230 expand Show data source
1605 expand Show data source
UN1605 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
I expand Show data source
I (Truck Only) expand Show data source
Australian Hazchem
2XE expand Show data source
Risk Statements
45-23/24/25-36/37/38-51/53 expand Show data source
R:23/24/25-36/37/38-45-51/53 expand Show data source
R45, R23/24/25, R36/37/38, R51/53 expand Show data source
Safety Statements
53-45-61 expand Show data source
S:45-53-61 expand Show data source
S45 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
EU Index
602-010-00-6 expand Show data source
GHS Pictograms
GHS environment expand Show data source
GHS health hazard expand Show data source
GHS skull and crossbones expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
NFPA704
NFPA 704 diagram
0
3
0
expand Show data source
LD50
110.0 mg kg-1 (oral, guinea pig) expand Show data source
130.0 mg kg-1 (oral, quail) expand Show data source
300.0 mg kg-1 (dermal, rabbit) expand Show data source
55.0 mg kg-1 (oral, rabbit) expand Show data source
79.0 mg kg-1 (oral, chicken) expand Show data source
GHS Hazard statements
301, 311, 315, 319, 331, 335, 350, 411 expand Show data source
H301-H311-H315-H319-H331-H335-H350-H411 expand Show data source
H301-H311-H331-H315-H319-H335-H350-H411 expand Show data source
GHS Precautionary statements
261, 273, 280, 301+310, 305+351+338 expand Show data source
P201-P261-P273-P280-P301 + P310-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1230 6.1/PG 2 expand Show data source
UN 1605 6.1/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
5000 μg/mL in methanol expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 1 mL expand Show data source
Linear Formula
BrCH2CH2Br expand Show data source
Empirical Formula (Hill Notation)
C2H4Br2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223030 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 240656 external link
Other Notes
May darken in storage
Packaging
5, 100 g in glass bottle
Sigma Aldrich - D40752 external link
Other Notes
May darken in storage
Packaging
1 kg in glass bottle
5, 250 g in glass bottle
Sigma Aldrich - 31040 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 33423 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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