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107-37-9 molecular structure
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trichloro(prop-2-en-1-yl)silane

ChemBase ID: 106846
Molecular Formular: C3H5Cl3Si
Molecular Mass: 175.5163
Monoisotopic Mass: 173.92260973
SMILES and InChIs

SMILES:
Cl[Si](Cl)(Cl)CC=C
Canonical SMILES:
C=CC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2
InChIKey:
HKFSBKQQYCMCKO-UHFFFAOYSA-N

Cite this record

CBID:106846 http://www.chembase.cn/molecule-106846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trichloro(prop-2-en-1-yl)silane
IUPAC Traditional name
allytrichlorosilane
Synonyms
ALLYL TRICHLORO SILANE
Allyltrichlorosilane
烯丙基三氯硅烷
CAS Number
107-37-9
EC Number
203-485-9
MDL Number
MFCD00000486
Beilstein Number
1743449
PubChem SID
24846779
162094534
PubChem CID
7867

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7867 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6704  LogD (pH = 7.4) 2.6704 
Log P 2.6704  Molar Refractivity 33.0207 cm3
Polarizability 14.59278 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)
Boiling Point
116 °C/750 mmHg(lit.) expand Show data source
117-118°C expand Show data source
Flash Point
18 °C expand Show data source
18°C(64°F) expand Show data source
64.4 °F expand Show data source
Density
1.211 expand Show data source
1.211 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4490 expand Show data source
n20/D 1.443 expand Show data source
n20/D 1.443(lit.) expand Show data source
Vapor Pressure
10 mmHg ( 16.1 °C) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
VV1530000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
1724 expand Show data source
UN1724 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
II expand Show data source
Risk Statements
11-14-34 expand Show data source
11-34 expand Show data source
R:9-10-34 expand Show data source
Safety Statements
16-26-33-36/37/39-43-45 expand Show data source
26-36/37/39-45 expand Show data source
S:16-17-27/28-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314 expand Show data source
H225-H314-H318 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-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 1724 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% (GC) expand Show data source
95% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2C=CHCH2SiCl3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201627 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 107778 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Allyltrichlorosilanes react with aldehydes in DMF without a catalyst to give high yields of the corresponding homoallylic alcohols, for example allyltrichlorosilane with benzaldehyde gives 1-phenyl-3-buten-1-ol and with cinnamaldehyde gives 1-phenyl-1,5-hexadien-3-ol, both in high yield: Tetrahedron Lett., 34, 3453 (1993); J. Org. Chem., 59, 6620 (1994).
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PATENTS

PATENTS

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INTERNET

INTERNET

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