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7154-66-7 molecular structure
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2-bromobenzoyl chloride

ChemBase ID: 84022
Molecular Formular: C7H4BrClO
Molecular Mass: 219.46306
Monoisotopic Mass: 217.91340443
SMILES and InChIs

SMILES:
O=C(c1ccccc1Br)Cl
Canonical SMILES:
ClC(=O)c1ccccc1Br
InChI:
InChI=1S/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKey:
NZCKTGCKFJDGFD-UHFFFAOYSA-N

Cite this record

CBID:84022 http://www.chembase.cn/molecule-84022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromobenzoyl chloride
IUPAC Traditional name
2-bromo-benzoyl chloride
Synonyms
2-Bromobenzoyl chloride
2-Bromobenzoyl chloride
2-溴苯甲酰氯
CAS Number
7154-66-7
EC Number
230-507-4
MDL Number
MFCD00000655
Beilstein Number
508506
PubChem SID
24891879
162071138
24850069
PubChem CID
23542

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.932911  LogD (pH = 7.4) 2.932911 
Log P 2.932911  Molar Refractivity 44.7955 cm3
Polarizability 17.022503 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)
Melting Point
10°C expand Show data source
8-10 °C(lit.) expand Show data source
Boiling Point
245 °C(lit.) expand Show data source
245°C expand Show data source
Flash Point
107°C(224°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.674 expand Show data source
1.679 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5960 expand Show data source
n20/D 1.597 expand Show data source
n20/D 1.597(lit.) expand Show data source
Storage Warning
Corrosive expand Show data source
Moisture Sensitive expand Show data source
RTECS
DM6635000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3265 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
II expand Show data source
Risk Statements
34 expand Show data source
34-37 expand Show data source
Safety Statements
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
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 3265 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
BrC6H4COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B59179 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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