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618-32-6 molecular structure
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benzoyl bromide

ChemBase ID: 109051
Molecular Formular: C7H5BrO
Molecular Mass: 185.018
Monoisotopic Mass: 183.95237678
SMILES and InChIs

SMILES:
BrC(=O)c1ccccc1
Canonical SMILES:
BrC(=O)c1ccccc1
InChI:
InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey:
AQIHMSVIAGNIDM-UHFFFAOYSA-N

Cite this record

CBID:109051 http://www.chembase.cn/molecule-109051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzoyl bromide
IUPAC Traditional name
benzoyl bromide
Synonyms
Benzoyl bromide
BENZOYL BROMIDE
苯甲酰溴
CAS Number
618-32-6
EC Number
210-544-2
MDL Number
MFCD00000112
Beilstein Number
1855439
PubChem SID
24848428
24847896
162094921
PubChem CID
12056

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3142111  LogD (pH = 7.4) 2.3142111 
Log P 2.3142111  Molar Refractivity 39.7716 cm3
Polarizability 14.998093 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)
Boiling Point
218-219 °C(lit.) expand Show data source
Flash Point
194 °F expand Show data source
90 °C expand Show data source
Density
1.57 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.589 expand Show data source
n20/D 1.589(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
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
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
14-34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H335 expand Show data source
GHS Precautionary statements
P261-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
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥97.0% (AT) expand Show data source
95+% 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
C6H5COBr expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209639 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 139726 external link
Packaging
50, 250 g in glass bottle
Sigma Aldrich - 12929 external link
Caution
may discolor to brown-yellow on storage

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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