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7148-74-5 molecular structure
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2-bromopropanoyl chloride

ChemBase ID: 88526
Molecular Formular: C3H4BrClO
Molecular Mass: 171.42026
Monoisotopic Mass: 169.91340443
SMILES and InChIs

SMILES:
O=C(Cl)C(C)Br
Canonical SMILES:
CC(C(=O)Cl)Br
InChI:
InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
InChIKey:
OZGMODDEIHYPRY-UHFFFAOYSA-N

Cite this record

CBID:88526 http://www.chembase.cn/molecule-88526.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromopropanoyl chloride
IUPAC Traditional name
2-bromo-propionyl chloride
Synonyms
α-BROMOPROPIONYL CHLORIDE
2-Bromopropionyl chloride
2-Bromopropionyl chloride
2-Bromopropanoyl chloride
2-溴丙酰氯
CAS Number
7148-74-5
EC Number
230-466-2
MDL Number
MFCD00000711
Beilstein Number
773800
PubChem SID
24848748
162075467
PubChem CID
97980

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.885696  H Acceptors
H Donor LogD (pH = 5.5) 1.6015873 
LogD (pH = 7.4) 1.6015873  Log P 1.6015873 
Molar Refractivity 28.7328 cm3 Polarizability 11.303359 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
131-133 °C(lit.) expand Show data source
131-133°C expand Show data source
131-133°C expand Show data source
Flash Point
123.8 °F expand Show data source
51 °C expand Show data source
51°C expand Show data source
51°C(125°F) expand Show data source
Density
1.7 g/mL at 25 °C(lit.) expand Show data source
1.700 expand Show data source
Refractive Index
1.4780 expand Show data source
n20/D 1.477(lit.) expand Show data source
Storage Warning
Corrosive/Flammable/Lachrymatory/Light Sensitive/Moisture Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2920 expand Show data source
UN2920 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
10-34 expand Show data source
10-34-36/37 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
20-26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314-H335 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 2920 8/PG 2 expand Show data source
Purity
98% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CHBrCOCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05222900 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 145807 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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