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1575-61-7 molecular structure
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5-chloropentanoyl chloride

ChemBase ID: 108557
Molecular Formular: C5H8Cl2O
Molecular Mass: 155.02242
Monoisotopic Mass: 153.99522024
SMILES and InChIs

SMILES:
ClCCCCC(=O)Cl
Canonical SMILES:
ClCCCCC(=O)Cl
InChI:
InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey:
SVNNWKWHLOJLOK-UHFFFAOYSA-N

Cite this record

CBID:108557 http://www.chembase.cn/molecule-108557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropentanoyl chloride
IUPAC Traditional name
valeryl chloride, 5-chloro-
Synonyms
5-Chlorovaleroyl chloride
delta-CHLOROVALEROYL CHLORIDE
5-Chloropentanoyl chloride
5-Chlorovaleroyl chloride
5-chloropentanoyl chloride
5-氯代戊酰氯
5-氯戊酰氯
CAS Number
1575-61-7
EC Number
216-403-1
MDL Number
MFCD00000758
Beilstein Number
1745182
PubChem SID
24847658
162095503
PubChem CID
74089

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8175703  LogD (pH = 7.4) 1.8175703 
Log P 1.8175703  Molar Refractivity 35.3108 cm3
Polarizability 13.80194 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
142 - 144°C expand Show data source
Boiling Point
38-39 °C/0.15 mmHg(lit.) expand Show data source
Flash Point
195.8 °F expand Show data source
91 °C expand Show data source
Density
1.2 g/mL at 25 °C(lit.) expand Show data source
1.206 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.464 expand Show data source
n20/D 1.464(lit.) expand Show data source
Hydrophobicity(logP)
1.431 expand Show data source
RTECS
YV9108000 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
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
22-34 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
H302-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 3265 8/PG 2 expand Show data source
Purity
≥97.0% (T) expand Show data source
95% expand Show data source
96% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
Cl(CH2)4COCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05207842 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 125245 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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