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629-03-8 molecular structure
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629-03-8 molecular structure
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1,6-dibromohexane

ChemBase ID: 70099
Molecular Formular: C6H12Br2
Molecular Mass: 243.96748
Monoisotopic Mass: 241.93057438
SMILES and InChIs

SMILES:
 C(CCCCCBr)Br
Canonical SMILES:
 BrCCCCCCBr
InChI:
 InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey:
 SGRHVVLXEBNBDV-UHFFFAOYSA-N

Cite this record

CBID:70099 http://www.chembase.cn/molecule-70099.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,6-dibromohexane
IUPAC Traditional name
hexane, 1,6-dibromo-
Synonyms
1,6-DIBROMO-n-HEXANE
1,6-Dibromohexane
Hexamethylene dibromide
1,6-Dibromohexane 97+%
1,6-Dibromohexane
六亚甲基二溴
1,6-二溴己烷
CAS Number
629-03-8
EC Number
211-067-2
MDL Number
MFCD00000272
Beilstein Number
1236322
PubChem SID
162035824
24893815
24861010
PubChem CID
12368

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich D41007 external link Add to cart 34191 external link Add to cart
MP Biomedicals 05211987 external link Add to cart
Alfa Aesar A13417 external link Add to cart
Matrix Scientific 075625 external link Add to cart
Apollo Scientific OR4509 external link Add to cart
PubChem 12368 external link
Enamine EN300-19705 external link Add to cart
Bide Pharmatech BD55032
Data Source Data ID Price
Sigma Aldrich
D41007 external link Add to cart Please log in.
34191 external link Add to cart Please log in.
MP Biomedicals
05211987 external link Add to cart Please log in.
Alfa Aesar
A13417 external link Add to cart Please log in.
Matrix Scientific
075625 external link Add to cart Please log in.
Apollo Scientific
OR4509 external link Add to cart Please log in.
Enamine
EN300-19705 external link Add to cart Please log in.
Bide Pharmatech
BD55032 Please log in.
Data Source Data ID
PubChem 12368 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 3.337955  LogD (pH = 7.4) 3.337955 
Log P 3.337955  Molar Refractivity 45.3346 cm3
Polarizability 17.4491 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 5  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
colorless to brownish-yellow expand Show data source
Melting Point
-2°C expand Show data source
-2-2.5 °C(lit.) expand Show data source
69 - 72°C expand Show data source
Boiling Point
242-244°C expand Show data source
242-244°C expand Show data source
243 °C(lit.) expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.586 expand Show data source
1.586 g/mL at 25 °C(lit.) expand Show data source
1.610 expand Show data source
Refractive Index
1.5075 expand Show data source
n20/D 1.507(lit.) expand Show data source
n20/D 1.508 expand Show data source
Hydrophobicity(logP)
3.574 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful expand Show data source
RTECS
MO1515000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
UN Number
2810 expand Show data source
UN3082 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
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
22-43-51/53 expand Show data source
25-43-51/53 expand Show data source
Safety Statements
23-24-37-57 expand Show data source
36/37-45-61 expand Show data source
TSCA Listed
false expand Show data source
是 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H317 expand Show data source
H301-H317-H411-H401 expand Show data source
GHS Precautionary statements
P261-P301+P310-P302+P352-P321-P405-P501A expand Show data source
P264-P280-P301 + P310 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
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
95+% expand Show data source
96% expand Show data source
97% expand Show data source
97+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
Br(CH2)6Br expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211987 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D41007 external link
Packaging
25, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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