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1071-27-8 molecular structure
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4-(trichlorosilyl)butanenitrile

ChemBase ID: 145722
Molecular Formular: C4H6Cl3NSi
Molecular Mass: 202.54164
Monoisotopic Mass: 200.93350877
SMILES and InChIs

SMILES:
C(CC#N)C[Si](Cl)(Cl)Cl
Canonical SMILES:
N#CCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C4H6Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-2,4H2
InChIKey:
HMFFOEBLYHLRQN-UHFFFAOYSA-N

Cite this record

CBID:145722 http://www.chembase.cn/molecule-145722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(trichlorosilyl)butanenitrile
IUPAC Traditional name
4-(trichlorosilyl)butanenitrile
Synonyms
4-(Trichlorosilyl)butyronitrile
Trichloro(3-cyanopropyl)silane
3-Cyanopropyltrichlorosilane
3-Cyanopropyltrichlorosilane
4-Trichlorosilylbutyronitrile
Trichloro(3-cyanopropyl)silane
(3-Cyanopropyl)trichlorosilane
(3-氰丙基)三氯硅烷
3-氰丙基三氯硅烷
3-环丙基三氯硅烷
3-氰丙基三氯甲硅烷
(3-氰丙基)三氯硅烷
CAS Number
1071-27-8
EC Number
213-990-6
MDL Number
MFCD00013832
Beilstein Number
906924
PubChem SID
162239925
24863515
PubChem CID
14063

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14063 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7421  LogD (pH = 7.4) 1.7421 
Log P 1.7421  Molar Refractivity 38.3763 cm3
Polarizability 16.589035 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
237-238 °C(lit.) expand Show data source
237-238°C expand Show data source
Flash Point
197.6 °F expand Show data source
92 °C expand Show data source
92°C(198°F) expand Show data source
Density
1.28 expand Show data source
1.3 g/mL at 25 °C(lit.) expand Show data source
1.302 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4630 expand Show data source
n20/D 1.463(lit.) expand Show data source
n20/D 1.464 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
VV2775000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2987 expand Show data source
UN2987 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 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
14-34 expand Show data source
14-34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
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-H318-H227-H303 expand Show data source
H314-H335 expand Show data source
GHS Precautionary statements
P210-P260-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 2987 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
Cl3Si(CH2)3CN expand Show data source
Empirical Formula (Hill Notation)
C4H6Cl3NSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 377643 external link
Packaging
25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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