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34718-47-3 molecular structure
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tribromoacetyl chloride

ChemBase ID: 138191
Molecular Formular: C2Br3ClO
Molecular Mass: 315.1858
Monoisotopic Mass: 311.7187783
SMILES and InChIs

SMILES:
C(=O)(C(Br)(Br)Br)Cl
Canonical SMILES:
ClC(=O)C(Br)(Br)Br
InChI:
InChI=1S/C2Br3ClO/c3-2(4,5)1(6)7
InChIKey:
RDBMNMVDVKRYKW-UHFFFAOYSA-N

Cite this record

CBID:138191 http://www.chembase.cn/molecule-138191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tribromoacetyl chloride
IUPAC Traditional name
tribromoacetyl chloride
Synonyms
Tribromoacetyl chloride
三溴乙酰氯
CAS Number
34718-47-3
MDL Number
MFCD00209618
PubChem SID
24867039
162232449
PubChem CID
599146

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
431656 external link Add to cart Please log in.
Data Source Data ID
PubChem 599146 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.513491  LogD (pH = 7.4) 2.513491 
Log P 2.513491  Molar Refractivity 40.4423 cm3
Polarizability 16.039185 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.628 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.583(lit.) expand Show data source
Vapor Pressure
0.23 psi ( 20 °C) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2927 expand Show data source
MSDS Link
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
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 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
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
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 2927 6.1/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
CBr3COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 431656 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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