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142-28-9 molecular structure
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1,3-dichloropropane

ChemBase ID: 74388
Molecular Formular: C3H6Cl2
Molecular Mass: 112.98574
Monoisotopic Mass: 111.98465555
SMILES and InChIs

SMILES:
ClCCCCl
Canonical SMILES:
ClCCCCl
InChI:
InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKey:
YHRUOJUYPBUZOS-UHFFFAOYSA-N

Cite this record

CBID:74388 http://www.chembase.cn/molecule-74388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dichloropropane
IUPAC Traditional name
dichloropropane
Synonyms
Trimethylene dichloride
1,3-Dichloropropane
1,3-Dichloropropane solution
1,3-Dichloropropane
二氯三亚甲基
1,3-二氯丙烷
1,3-二氯丙烷 溶液
CAS Number
142-28-9
EC Number
205-531-3
MDL Number
MFCD00000999
Beilstein Number
505960
PubChem SID
24865726
162039307
24894091
24868908
PubChem CID
8881
Chemspider ID
8543
Wikipedia Title
1,3-Dichloropropane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5604644  LogD (pH = 7.4) 1.5604644 
Log P 1.5604644  Molar Refractivity 25.521 cm3
Polarizability 9.976074 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
-99 °C(lit.) expand Show data source
-99°C expand Show data source
-99.5°C expand Show data source
Boiling Point
120°C expand Show data source
120.4°C expand Show data source
120°C expand Show data source
120-122 °C(lit.) expand Show data source
122°C expand Show data source
Flash Point
20°C(68°F) expand Show data source
32 °C expand Show data source
32°C expand Show data source
36 °C expand Show data source
89.6 °F expand Show data source
96.8 °F expand Show data source
Density
1.19 g/cm3 (at 25 oC) expand Show data source
1.19 g/mL at 25 °C(lit.) expand Show data source
1.190 expand Show data source
Refractive Index
1.4481 expand Show data source
n20/D 1.448(lit.) expand Show data source
Storage Warning
Flammable expand Show data source
RTECS
TX9660000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11 expand Show data source
11-36/37/38 expand Show data source
R:10 expand Show data source
Safety Statements
16-26 expand Show data source
33 expand Show data source
S:9-16 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H225 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
99% expand Show data source
Concentration
5000 μg/mL in methanol expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1 mL expand Show data source
Linear Formula
Cl(CH2)3Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212986 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D72204 external link
Packaging
25, 100 g in glass bottle
Sigma Aldrich - 45439 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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