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627-15-6 molecular structure
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1,3-dibromoprop-1-ene

ChemBase ID: 146772
Molecular Formular: C3H4Br2
Molecular Mass: 199.87186
Monoisotopic Mass: 197.86797413
SMILES and InChIs

SMILES:
C(/C=C/Br)Br
Canonical SMILES:
BrC/C=C/Br
InChI:
InChI=1S/C3H4Br2/c4-2-1-3-5/h1-2H,3H2
InChIKey:
JWQMKMSVOYQICF-UHFFFAOYSA-N

Cite this record

CBID:146772 http://www.chembase.cn/molecule-146772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dibromoprop-1-ene
IUPAC Traditional name
1,3-dibromoprop-1-ene
Synonyms
1,3-Dibromo-1-propene, mixture of cis and trans
1,3-二溴-1-丙烯(顺反异构体混合物)
CAS Number
627-15-6
MDL Number
MFCD00010351
PubChem SID
24856496
162240964
PubChem CID
6393503

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
276162 external link Add to cart Please log in.
Data Source Data ID
PubChem 6393503 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2346654  LogD (pH = 7.4) 2.2346654 
Log P 2.2346654  Molar Refractivity 31.0781 cm3
Polarizability 11.941247 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)
Boiling Point
155-156 °C(lit.) expand Show data source
Flash Point
27 °C expand Show data source
80.6 °F expand Show data source
Density
2 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.5573(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-27-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 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 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Linear Formula
BrCH2CH=CHBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 276162 external link
Application
Synthetic building block1
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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